7-methoxy-1-propyl-2-(pyridin-2-ylamino)benzimidazole-5-carboxamide

C17H19N5O2 — CID 175349387

IUPAC7-methoxy-1-propyl-2-(pyridin-2-ylamino)benzimidazole-5-carboxamide
SMILESCCCn1c(Nc2ccccn2)nc2cc(C(N)=O)cc(OC)c21
InChIInChI=1S/C17H19N5O2/c1-3-8-22-15-12(9-11(16(18)23)10-13(15)24-2)20-17(22)21-14-6-4-5-7-19-14/h4-7,9-10H,3,8H2,1-2H3,(H2,18,23)(H,19,20,21)
InChIKeyAOYNEFJDPYDKGI-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.69
Rot. Bonds6

About 7-methoxy-1-propyl-2-(pyridin-2-ylamino)benzimidazole-5-carboxamide

7-methoxy-1-propyl-2-(pyridin-2-ylamino)benzimidazole-5-carboxamide (PubChem CID 175349387) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 7-methoxy-1-propyl-2-(pyridin-2-ylamino)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-methoxy-1-propyl-2-(pyridin-2-ylamino)benzimidazole-5-carboxamide
PubChem CID175349387
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name7-methoxy-1-propyl-2-(pyridin-2-ylamino)benzimidazole-5-carboxamide
SMILESCCCn1c(Nc2ccccn2)nc2cc(C(N)=O)cc(OC)c21
InChIInChI=1S/C17H19N5O2/c1-3-8-22-15-12(9-11(16(18)23)10-13(15)24-2)20-17(22)21-14-6-4-5-7-19-14/h4-7,9-10H,3,8H2,1-2H3,(H2,18,23)(H,19,20,21)
InChIKeyAOYNEFJDPYDKGI-UHFFFAOYSA-N
XLogP2.69
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-carbamoyl-7-methoxy-1-propylbenzimidazol-2-yl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 172677053
benzyl N-[3-[5-carbamoyl-7-(3-methoxypropoxy)-2-(pyridazin-3-ylamino)benzimidazol-1-yl]propyl]carbamate
CID 175087666
3-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl N-phenylcarbamate
CID 175550842
[4-[(2-benzamido-5-carbamoyl-7-methoxybenzimidazol-1-yl)methyl]phenyl] diethyl phosphate
CID 170007519
3-(2-amino-5-carbamoyl-7-methoxybenzimidazol-1-yl)propyl carbamate
CID 175090171
benzyl N-[3-[5-carbamoyl-7-methoxy-2-(quinoline-2-carbonylamino)benzimidazol-1-yl]propyl]carbamate
CID 155561476
2-amino-1-[(E)-4-(2-amino-5-carbamoyl-7-phenylmethoxybenzimidazol-1-yl)but-2-enyl]-7-methoxybenzimidazole-5-carboxamide;dihydrobromide
CID 140862536
[4-[2-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]ethoxy]phenyl]phosphonous acid
CID 170008731
1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-phenylmethoxybenzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazole-5-carboxamide
CID 175358559
1-[(E)-4-[5-carbamoyl-2-(furan-2-carbonylamino)-7-methoxybenzimidazol-1-yl]but-2-enyl]-2-(furan-2-carbonylamino)-7-hydroxybenzimidazole-5-carboxamide
CID 164587828
benzyl N-[3-[5-carbamoyl-7-(3-morpholin-4-ylpropoxy)-2-(pyridazin-3-ylamino)benzimidazol-1-yl]propyl]carbamate
CID 175088023
2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxy-1-[4-oxo-4-[(4-phenoxyphenyl)methylamino]butyl]benzimidazole-5-carboxamide
CID 175550862

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-propyl-2-(pyridin-2-ylamino)benzimidazole-5-carboxamide?
The IUPAC name of 7-methoxy-1-propyl-2-(pyridin-2-ylamino)benzimidazole-5-carboxamide (CID 175349387) is 7-methoxy-1-propyl-2-(pyridin-2-ylamino)benzimidazole-5-carboxamide.
What is the SMILES notation for 7-methoxy-1-propyl-2-(pyridin-2-ylamino)benzimidazole-5-carboxamide?
The canonical SMILES for 7-methoxy-1-propyl-2-(pyridin-2-ylamino)benzimidazole-5-carboxamide is CCCn1c(Nc2ccccn2)nc2cc(C(N)=O)cc(OC)c21.
What is the InChIKey of 7-methoxy-1-propyl-2-(pyridin-2-ylamino)benzimidazole-5-carboxamide?
The InChIKey is AOYNEFJDPYDKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-3-8-22-15-12(9-11(16(18)23)10-13(15)24-2)20-17(22)21-14-6-4-5-7-19-14/h4-7,9-10H,3,8H2,1-2H3,(H2,18,23)(H,19,20,21).
What are the key properties of 7-methoxy-1-propyl-2-(pyridin-2-ylamino)benzimidazole-5-carboxamide?
7-methoxy-1-propyl-2-(pyridin-2-ylamino)benzimidazole-5-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-propyl-2-(pyridin-2-ylamino)benzimidazole-5-carboxamide is sourced from PubChem (CID 175349387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).