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

C19H22N6O — CID 23433115

IUPAC2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccnc(NCCN4CCCC4)c3)nc12
InChIInChI=1S/C19H22N6O/c20-18(26)14-4-3-5-15-17(14)24-19(23-15)13-6-7-21-16(12-13)22-8-11-25-9-1-2-10-25/h3-7,12H,1-2,8-11H2,(H2,20,26)(H,21,22)(H,23,24)
InChIKeyOFIYSYCENZRDIH-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.23
Rot. Bonds6

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

2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide (PubChem CID 23433115) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide
PubChem CID23433115
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccnc(NCCN4CCCC4)c3)nc12
InChIInChI=1S/C19H22N6O/c20-18(26)14-4-3-5-15-17(14)24-19(23-15)13-6-7-21-16(12-13)22-8-11-25-9-1-2-10-25/h3-7,12H,1-2,8-11H2,(H2,20,26)(H,21,22)(H,23,24)
InChIKeyOFIYSYCENZRDIH-UHFFFAOYSA-N
XLogP2.23
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-[2-(4-methyl-1,4-diazepan-1-yl)ethylamino]-3-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23433052
2-[2-(2-piperidin-1-ylethylamino)-3-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23432939
2-[2-[3-(diethylamino)propylamino]-4-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23432911
2-[3-(2-piperidin-1-ylethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 18676129
2-[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23432943
2-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23433113
2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 10852098
2-[6-[3-(4-ethyl-1,4-diazepan-1-yl)propyl-methylamino]-3-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23433135
2-[4-(1,4-diazepan-1-yl)phenyl]-1H-benzimidazole-4-carboxamide
CID 68701798
3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide
CID 112578815
2-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 5274836
2-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-1H-benzimidazole-4-carboxamide
CID 24825799

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide (CID 23433115) is 2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(-c3ccnc(NCCN4CCCC4)c3)nc12.
What is the InChIKey of 2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is OFIYSYCENZRDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c20-18(26)14-4-3-5-15-17(14)24-19(23-15)13-6-7-21-16(12-13)22-8-11-25-9-1-2-10-25/h3-7,12H,1-2,8-11H2,(H2,20,26)(H,21,22)(H,23,24).
What are the key properties of 2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide?
2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 23433115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).