1-[4-(4-ethoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(3-methoxyphenyl)methyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea — IUPAC name, SMILES, InChIKey & properties

Name: 1-[4-(4-ethoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(3-methoxyphenyl)methyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 1-[4-(4-ethoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(3-methoxyphenyl)methyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea

1-[4-(4-ethoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(3-methoxyphenyl)methyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea (PubChem CID 158297979) has the molecular formula C100H97FN26O10 and a molecular weight of 1842.05 g/mol. Its IUPAC name is 1-[4-(4-ethoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(3-methoxyphenyl)methyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name	1-[4-(4-ethoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(3-methoxyphenyl)methyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
PubChem CID	158297979
Molecular Formula	C100H97FN26O10
Molecular Weight	1842.05 g/mol
Exact Mass	1840.79
IUPAC Name	1-[4-(4-ethoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(3-methoxyphenyl)methyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
SMILES	CCNC(=O)Nc1nc2c(-c3cc(OCC)ccn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3cc(OCCOC)ccn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cc(C)n(Cc4cccc(OC)c4)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-n3cnc(C(=O)NCc4ccc(F)cc4)c3)cc2[nH]1
InChI	InChI=1S/C29H28N6O3.C26H23FN8O2.C23H24N6O3.C22H22N6O2/c1-4-30-29(37)34-28-32-25-15-21(14-23(27(25)33-28)24-10-5-6-11-31-24)20-12-18(2)35(26(36)16-20)17-19-8-7-9-22(13-19)38-3;1-2-28-26(37)34-25-32-21-12-18(11-19(23(21)33-25)20-5-3-4-10-29-20)35-14-22(31-15-35)24(36)30-13-16-6-8-17(27)9-7-16;1-3-25-23(30)29-22-27-20-12-16(15-5-4-7-24-14-15)11-18(21(20)28-22)19-13-17(6-8-26-19)32-10-9-31-2;1-3-24-22(29)28-21-26-19-11-15(14-6-5-8-23-13-14)10-17(20(19)27-21)18-12-16(30-4-2)7-9-25-18/h5-16H,4,17H2,1-3H3,(H3,30,32,33,34,37);3-12,14-15H,2,13H2,1H3,(H,30,36)(H3,28,32,33,34,37);4-8,11-14H,3,9-10H2,1-2H3,(H3,25,27,28,29,30);5-13H,3-4H2,1-2H3,(H3,24,26,27,28,29)
InChIKey	GMDLBFGIJOHCJB-UHFFFAOYSA-N
XLogP	17.06
TPSA	462.42 Å²
H-Bond Donors	13
H-Bond Acceptors	23
Rotatable Bonds	28
Heavy Atoms	137
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1842.05
LogP ≤ 5	17.06
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-(4-ethoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(3-methoxyphenyl)methyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(3-methoxyphenyl)methyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?

The IUPAC name of 1-[4-(4-ethoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(3-methoxyphenyl)methyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea (CID 158297979) is 1-[4-(4-ethoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(3-methoxyphenyl)methyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea.

What is the SMILES notation for 1-[4-(4-ethoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(3-methoxyphenyl)methyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?

The canonical SMILES for 1-[4-(4-ethoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(3-methoxyphenyl)methyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2c(-c3cc(OCC)ccn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3cc(OCCOC)ccn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cc(C)n(Cc4cccc(OC)c4)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-n3cnc(C(=O)NCc4ccc(F)cc4)c3)cc2[nH]1.

What is the InChIKey of 1-[4-(4-ethoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(3-methoxyphenyl)methyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?

The InChIKey is GMDLBFGIJOHCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O3.C26H23FN8O2.C23H24N6O3.C22H22N6O2/c1-4-30-29(37)34-28-32-25-15-21(14-23(27(25)33-28)24-10-5-6-11-31-24)20-12-18(2)35(26(36)16-20)17-19-8-7-9-22(13-19)38-3;1-2-28-26(37)34-25-32-21-12-18(11-19(23(21)33-25)20-5-3-4-10-29-20)35-14-22(31-15-35)24(36)30-13-16-6-8-17(27)9-7-16;1-3-25-23(30)29-22-27-20-12-16(15-5-4-7-24-14-15)11-18(21(20)28-22)19-13-17(6-8-26-19)32-10-9-31-2;1-3-24-22(29)28-21-26-19-11-15(14-6-5-8-23-13-14)10-17(20(19)27-21)18-12-16(30-4-2)7-9-25-18/h5-16H,4,17H2,1-3H3,(H3,30,32,33,34,37);3-12,14-15H,2,13H2,1H3,(H,30,36)(H3,28,32,33,34,37);4-8,11-14H,3,9-10H2,1-2H3,(H3,25,27,28,29,30);5-13H,3-4H2,1-2H3,(H3,24,26,27,28,29).

What are the key properties of 1-[4-(4-ethoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(3-methoxyphenyl)methyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?

Where does this data come from?

All data for 1-[4-(4-ethoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(3-methoxyphenyl)methyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 158297979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).