6-chloro-2-(4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide

C18H17ClN4O — CID 16665847

IUPAC6-chloro-2-(4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cc(Cl)cc2[nH]c(-c3ccc(C4CCCN4)cc3)nc12
InChIInChI=1S/C18H17ClN4O/c19-12-8-13(17(20)24)16-15(9-12)22-18(23-16)11-5-3-10(4-6-11)14-2-1-7-21-14/h3-6,8-9,14,21H,1-2,7H2,(H2,20,24)(H,22,23)
InChIKeyDDDDHKQCFORNNW-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.41
Rot. Bonds3

About 6-chloro-2-(4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide

6-chloro-2-(4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide (PubChem CID 16665847) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 6-chloro-2-(4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide
PubChem CID16665847
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name6-chloro-2-(4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cc(Cl)cc2[nH]c(-c3ccc(C4CCCN4)cc3)nc12
InChIInChI=1S/C18H17ClN4O/c19-12-8-13(17(20)24)16-15(9-12)22-18(23-16)11-5-3-10(4-6-11)14-2-1-7-21-14/h3-6,8-9,14,21H,1-2,7H2,(H2,20,24)(H,22,23)
InChIKeyDDDDHKQCFORNNW-UHFFFAOYSA-N
XLogP3.41
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-chloro-2-(4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide (CID 16665847) is 6-chloro-2-(4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-chloro-2-(4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-chloro-2-(4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide is NC(=O)c1cc(Cl)cc2[nH]c(-c3ccc(C4CCCN4)cc3)nc12.
What is the InChIKey of 6-chloro-2-(4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is DDDDHKQCFORNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c19-12-8-13(17(20)24)16-15(9-12)22-18(23-16)11-5-3-10(4-6-11)14-2-1-7-21-14/h3-6,8-9,14,21H,1-2,7H2,(H2,20,24)(H,22,23).
What are the key properties of 6-chloro-2-(4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide?
6-chloro-2-(4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 16665847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).