2-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-1H-benzimidazole-4-carboxamide

C20H23N5O2 — CID 23433113

IUPAC2-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3cnccc3OCCCN3CCCC3)nc12
InChIInChI=1S/C20H23N5O2/c21-19(26)14-5-3-6-16-18(14)24-20(23-16)15-13-22-8-7-17(15)27-12-4-11-25-9-1-2-10-25/h3,5-8,13H,1-2,4,9-12H2,(H2,21,26)(H,23,24)
InChIKeyXZLOMTPRWUNAEB-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.59
Rot. Bonds7

About 2-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-1H-benzimidazole-4-carboxamide

2-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-1H-benzimidazole-4-carboxamide (PubChem CID 23433113) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-1H-benzimidazole-4-carboxamide
PubChem CID23433113
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3cnccc3OCCCN3CCCC3)nc12
InChIInChI=1S/C20H23N5O2/c21-19(26)14-5-3-6-16-18(14)24-20(23-16)15-13-22-8-7-17(15)27-12-4-11-25-9-1-2-10-25/h3,5-8,13H,1-2,4,9-12H2,(H2,21,26)(H,23,24)
InChIKeyXZLOMTPRWUNAEB-UHFFFAOYSA-N
XLogP2.59
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[3-(4-benzylpiperazin-1-yl)propoxy]-3-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23432959
2-[2-(2-piperidin-1-ylethylamino)-3-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23432939
2-[6-[3-(4-methylpiperazin-1-yl)propoxy]-2-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23432970
2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23433115
2-[3-(2-piperidin-1-ylethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 18676129
2-[6-[3-(4-ethyl-1,4-diazepan-1-yl)propyl-methylamino]-3-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23433135
2-[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23432943
2-[6-[2-(4-methyl-1,4-diazepan-1-yl)ethylamino]-3-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23433052
2-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 5274836
3-piperidin-1-ylpropyl 1H-benzimidazole-4-carboxylate
CID 15544726
2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide
CID 155676753
2-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole
CID 42632541

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-1H-benzimidazole-4-carboxamide (CID 23433113) is 2-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(-c3cnccc3OCCCN3CCCC3)nc12.
What is the InChIKey of 2-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is XZLOMTPRWUNAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c21-19(26)14-5-3-6-16-18(14)24-20(23-16)15-13-22-8-7-17(15)27-12-4-11-25-9-1-2-10-25/h3,5-8,13H,1-2,4,9-12H2,(H2,21,26)(H,23,24).
What are the key properties of 2-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-1H-benzimidazole-4-carboxamide?
2-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 23433113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).