N-cyclopropyl-1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]imidazole-4-carboxamide

C22H22N8O2 — CID 24971306

IUPACN-cyclopropyl-1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]imidazole-4-carboxamide
SMILESCCNC(=O)Nc1nc2c(-c3ccccn3)cc(-n3cnc(C(=O)NC4CC4)c3)cc2[nH]1
InChIInChI=1S/C22H22N8O2/c1-2-23-22(32)29-21-27-17-10-14(9-15(19(17)28-21)16-5-3-4-8-24-16)30-11-18(25-12-30)20(31)26-13-6-7-13/h3-5,8-13H,2,6-7H2,1H3,(H,26,31)(H3,23,27,28,29,32)
InChIKeyXTMGTPTXHXWURI-UHFFFAOYSA-N
MW430.47 g/mol
LogP2.84
Rot. Bonds6

About N-cyclopropyl-1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]imidazole-4-carboxamide

N-cyclopropyl-1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]imidazole-4-carboxamide (PubChem CID 24971306) has the molecular formula C22H22N8O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]imidazole-4-carboxamide
PubChem CID24971306
Molecular FormulaC22H22N8O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC NameN-cyclopropyl-1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]imidazole-4-carboxamide
SMILESCCNC(=O)Nc1nc2c(-c3ccccn3)cc(-n3cnc(C(=O)NC4CC4)c3)cc2[nH]1
InChIInChI=1S/C22H22N8O2/c1-2-23-22(32)29-21-27-17-10-14(9-15(19(17)28-21)16-5-3-4-8-24-16)30-11-18(25-12-30)20(31)26-13-6-7-13/h3-5,8-13H,2,6-7H2,1H3,(H,26,31)(H3,23,27,28,29,32)
InChIKeyXTMGTPTXHXWURI-UHFFFAOYSA-N
XLogP2.84
TPSA129.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(1H-Imidazol-1-YL)-7-methyl-1H-benzimidazol-2-YL]-4-[(pyridin-2-ylmethyl)amino]pyridin-2(1H)-one
CID 135530418
N-cyclopropyl-1-{2-[(ethylcarbamoyl)amino]-7-(1H-pyrazol-1-yl)-1H-1,3-benzodiazol-5-yl}-1H-imidazole-4-carboxamide
CID 9844989
N-(2-(n-isopropyl-N-methylamino)-1h-benzo[d]imidazol-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxamide
CID 9887476
2-(ethylureido)-N-methyl-5-(pyridine-3-yl)-1H-benzo[d]imidazole-7-carboxamide
CID 10427243
3-ethyl-1-[6-(piperidin-1-yl)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365983
N-cyclopropyl-1-{2-[(ethylcarbamoyl)amino]-6-fluoro-1H-1,3-benzodiazol-5-yl}-1H-imidazole-4-carboxamide
CID 21366124
N-[2-[methyl(propan-2-yl)amino]-3H-benzimidazol-5-yl]-6-phenylpyridine-3-carboxamide
CID 44143504
Psb-KD107
CID 44437220
8-(1~{H}-benzimidazol-2-ylmethyl)-3-cyclopropyl-7-(phenylmethyl)purine-2,6-dione
CID 122506014
N-[5-methyl-4-[7-[[(2R)-2-(4-methylpiperazin-1-yl)propanoyl]amino]-1H-indol-3-yl]pyrimidin-2-yl]cyclopropanecarboxamide
CID 138376574
6-cyclopropyl-N-(2-phenyl-3H-benzimidazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 165415031
6-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide
CID 165415129

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]imidazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]imidazole-4-carboxamide (CID 24971306) is N-cyclopropyl-1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]imidazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]imidazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]imidazole-4-carboxamide is CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-n3cnc(C(=O)NC4CC4)c3)cc2[nH]1.
What is the InChIKey of N-cyclopropyl-1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]imidazole-4-carboxamide?
The InChIKey is XTMGTPTXHXWURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O2/c1-2-23-22(32)29-21-27-17-10-14(9-15(19(17)28-21)16-5-3-4-8-24-16)30-11-18(25-12-30)20(31)26-13-6-7-13/h3-5,8-13H,2,6-7H2,1H3,(H,26,31)(H3,23,27,28,29,32).
What are the key properties of N-cyclopropyl-1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]imidazole-4-carboxamide?
N-cyclopropyl-1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]imidazole-4-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 2.84, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]imidazole-4-carboxamide is sourced from PubChem (CID 24971306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).