2-pyrrolidin-3-yl-1H-benzimidazole-4-carboxamide

C12H14N4O — CID 18428167

IUPAC2-pyrrolidin-3-yl-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(C3CCNC3)nc12
InChIInChI=1S/C12H14N4O/c13-11(17)8-2-1-3-9-10(8)16-12(15-9)7-4-5-14-6-7/h1-3,7,14H,4-6H2,(H2,13,17)(H,15,16)
InChIKeyATXAINYEEUYIMJ-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.74
Rot. Bonds2

About 2-pyrrolidin-3-yl-1H-benzimidazole-4-carboxamide

2-pyrrolidin-3-yl-1H-benzimidazole-4-carboxamide (PubChem CID 18428167) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-1H-benzimidazole-4-carboxamide
PubChem CID18428167
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-pyrrolidin-3-yl-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(C3CCNC3)nc12
InChIInChI=1S/C12H14N4O/c13-11(17)8-2-1-3-9-10(8)16-12(15-9)7-4-5-14-6-7/h1-3,7,14H,4-6H2,(H2,13,17)(H,15,16)
InChIKeyATXAINYEEUYIMJ-UHFFFAOYSA-N
XLogP0.74
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-pyrrolidin-3-yl-1H-benzimidazole-4-carboxamide (CID 18428167) is 2-pyrrolidin-3-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-pyrrolidin-3-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-pyrrolidin-3-yl-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(C3CCNC3)nc12.
What is the InChIKey of 2-pyrrolidin-3-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is ATXAINYEEUYIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-11(17)8-2-1-3-9-10(8)16-12(15-9)7-4-5-14-6-7/h1-3,7,14H,4-6H2,(H2,13,17)(H,15,16).
What are the key properties of 2-pyrrolidin-3-yl-1H-benzimidazole-4-carboxamide?
2-pyrrolidin-3-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 18428167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).