2-[4-(6-acetamido-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide

C21H17N5O2 — CID 122182317

IUPAC2-[4-(6-acetamido-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)cn1
InChIInChI=1S/C21H17N5O2/c1-12(27)24-18-10-9-15(11-23-18)13-5-7-14(8-6-13)21-25-17-4-2-3-16(20(22)28)19(17)26-21/h2-11H,1H3,(H2,22,28)(H,25,26)(H,23,24,27)
InChIKeyIDCCOLQNWZKEFQ-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.35
Rot. Bonds4

About 2-[4-(6-acetamido-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide

2-[4-(6-acetamido-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 122182317) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-[4-(6-acetamido-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(6-acetamido-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID122182317
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name2-[4-(6-acetamido-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)cn1
InChIInChI=1S/C21H17N5O2/c1-12(27)24-18-10-9-15(11-23-18)13-5-7-14(8-6-13)21-25-17-4-2-3-16(20(22)28)19(17)26-21/h2-11H,1H3,(H2,22,28)(H,25,26)(H,23,24,27)
InChIKeyIDCCOLQNWZKEFQ-UHFFFAOYSA-N
XLogP3.35
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-acetamido-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-(6-acetamido-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide (CID 122182317) is 2-[4-(6-acetamido-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-(6-acetamido-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-(6-acetamido-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide is CC(=O)Nc1ccc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)cn1.
What is the InChIKey of 2-[4-(6-acetamido-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is IDCCOLQNWZKEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-12(27)24-18-10-9-15(11-23-18)13-5-7-14(8-6-13)21-25-17-4-2-3-16(20(22)28)19(17)26-21/h2-11H,1H3,(H2,22,28)(H,25,26)(H,23,24,27).
What are the key properties of 2-[4-(6-acetamido-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide?
2-[4-(6-acetamido-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-acetamido-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 122182317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).