2-(3-chlorophenyl)ethanol;1-[2-(2,3-dihydro-1-benzofuran-5-ylamino)-4-pyridinyl]imidazole-4-carboxamide

C25H24ClN5O3 — CID 145213508

IUPAC2-(3-chlorophenyl)ethanol;1-[2-(2,3-dihydro-1-benzofuran-5-ylamino)-4-pyridinyl]imidazole-4-carboxamide
SMILESNC(=O)c1cn(-c2ccnc(Nc3ccc4c(c3)CCO4)c2)cn1.OCCc1cccc(Cl)c1
InChIInChI=1S/C17H15N5O2.C8H9ClO/c18-17(23)14-9-22(10-20-14)13-3-5-19-16(8-13)21-12-1-2-15-11(7-12)4-6-24-15;9-8-3-1-2-7(6-8)4-5-10/h1-3,5,7-10H,4,6H2,(H2,18,23)(H,19,21);1-3,6,10H,4-5H2
InChIKeyHUVILNXZSVNKLJ-UHFFFAOYSA-N
MW477.95 g/mol
LogP3.92
Rot. Bonds6

About 2-(3-chlorophenyl)ethanol;1-[2-(2,3-dihydro-1-benzofuran-5-ylamino)-4-pyridinyl]imidazole-4-carboxamide

2-(3-chlorophenyl)ethanol;1-[2-(2,3-dihydro-1-benzofuran-5-ylamino)-4-pyridinyl]imidazole-4-carboxamide (PubChem CID 145213508) has the molecular formula C25H24ClN5O3 and a molecular weight of 477.95 g/mol. Its IUPAC name is 2-(3-chlorophenyl)ethanol;1-[2-(2,3-dihydro-1-benzofuran-5-ylamino)-4-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)ethanol;1-[2-(2,3-dihydro-1-benzofuran-5-ylamino)-4-pyridinyl]imidazole-4-carboxamide
PubChem CID145213508
Molecular FormulaC25H24ClN5O3
Molecular Weight477.95 g/mol
Exact Mass477.16
IUPAC Name2-(3-chlorophenyl)ethanol;1-[2-(2,3-dihydro-1-benzofuran-5-ylamino)-4-pyridinyl]imidazole-4-carboxamide
SMILESNC(=O)c1cn(-c2ccnc(Nc3ccc4c(c3)CCO4)c2)cn1.OCCc1cccc(Cl)c1
InChIInChI=1S/C17H15N5O2.C8H9ClO/c18-17(23)14-9-22(10-20-14)13-3-5-19-16(8-13)21-12-1-2-15-11(7-12)4-6-24-15;9-8-3-1-2-7(6-8)4-5-10/h1-3,5,7-10H,4,6H2,(H2,18,23)(H,19,21);1-3,6,10H,4-5H2
InChIKeyHUVILNXZSVNKLJ-UHFFFAOYSA-N
XLogP3.92
TPSA115.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.95
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2R)-4-{5-[3-(4-chlorophenyl)propoxy]-1-methyl-1H-indol-3-yl}-1-hydroxybutan-2-yl]-1H-imidazole-4-carboxamide
CID 10480325
1-[(2R)-4-{6-[3-(4-chlorophenyl)propoxy]-1H-indol-1-yl}-1-hydroxybutan-2-yl]-1H-imidazole-4-carboxamide
CID 11454124
1-(2-(3-chlorobenzyloxy)-6-methylpyridin-4-yl)-2-methyl-1H-imidazole-4-carboxamide
CID 44409830
6-chloro-N-((1S,2R,4S and 1R, 2S,4R)-2-fluoro-4-hydroxycyclohexyl)-8-(2-(2,2,2-trifluoroethoxy)phenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 162763673
6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-8-(2-(2,2,2-trifluoroethoxy)phenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 162763731
6-chloro-N-(trans-4-hydroxycyclohexyl)-8-(2-(2,2,2-trifluoroethoxy)phenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 162763745
N-[3-(5-chloro-2-ethoxyphenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70498465
(6-chloro-8-(2-(2,2,2-trifluoroethoxy)phenyl)imidazo[1,2-a]pyridin-2-yl)((1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl)methanone
CID 162763743
(S)-1-(2-(1-(4-((3-chlorobenzyl)oxy) phenyl)imidazo[1,5-a] pyrazin-3-yl)pyrrolidin-1-yl)prop-2-en-1-one
CID 139465866
1-[4-[5-[3-(4-Chlorophenyl)propoxy]-1-methylindol-3-yl]-1-hydroxybutan-2-yl]imidazole-4-carboxamide
CID 85154550
1-{5'-Chloro-2'-methoxy-[1,1'-biphenyl]-3-YL}-N-(heptan-4-YL)-1H-imidazole-5-carboxamide
CID 46102860
6-chloro-N-[6-[(3-chloro-5-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 67291296

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)ethanol;1-[2-(2,3-dihydro-1-benzofuran-5-ylamino)-4-pyridinyl]imidazole-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)ethanol;1-[2-(2,3-dihydro-1-benzofuran-5-ylamino)-4-pyridinyl]imidazole-4-carboxamide (CID 145213508) is 2-(3-chlorophenyl)ethanol;1-[2-(2,3-dihydro-1-benzofuran-5-ylamino)-4-pyridinyl]imidazole-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)ethanol;1-[2-(2,3-dihydro-1-benzofuran-5-ylamino)-4-pyridinyl]imidazole-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)ethanol;1-[2-(2,3-dihydro-1-benzofuran-5-ylamino)-4-pyridinyl]imidazole-4-carboxamide is NC(=O)c1cn(-c2ccnc(Nc3ccc4c(c3)CCO4)c2)cn1.OCCc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)ethanol;1-[2-(2,3-dihydro-1-benzofuran-5-ylamino)-4-pyridinyl]imidazole-4-carboxamide?
The InChIKey is HUVILNXZSVNKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2.C8H9ClO/c18-17(23)14-9-22(10-20-14)13-3-5-19-16(8-13)21-12-1-2-15-11(7-12)4-6-24-15;9-8-3-1-2-7(6-8)4-5-10/h1-3,5,7-10H,4,6H2,(H2,18,23)(H,19,21);1-3,6,10H,4-5H2.
What are the key properties of 2-(3-chlorophenyl)ethanol;1-[2-(2,3-dihydro-1-benzofuran-5-ylamino)-4-pyridinyl]imidazole-4-carboxamide?
2-(3-chlorophenyl)ethanol;1-[2-(2,3-dihydro-1-benzofuran-5-ylamino)-4-pyridinyl]imidazole-4-carboxamide has a molecular weight of 477.95 g/mol, XLogP of 3.92, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)ethanol;1-[2-(2,3-dihydro-1-benzofuran-5-ylamino)-4-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 145213508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).