2-(6-benzyl-1H-benzimidazole-2-carbonyl)-N-methylpyrimidine-5-carboxamide

C21H17N5O2 — CID 142166594

IUPAC2-(6-benzyl-1H-benzimidazole-2-carbonyl)-N-methylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(C(=O)c2nc3ccc(Cc4ccccc4)cc3[nH]2)nc1
InChIInChI=1S/C21H17N5O2/c1-22-21(28)15-11-23-19(24-12-15)18(27)20-25-16-8-7-14(10-17(16)26-20)9-13-5-3-2-4-6-13/h2-8,10-12H,9H2,1H3,(H,22,28)(H,25,26)
InChIKeyJERBEGAVLVAQNP-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.53
Rot. Bonds5

About 2-(6-benzyl-1H-benzimidazole-2-carbonyl)-N-methylpyrimidine-5-carboxamide

2-(6-benzyl-1H-benzimidazole-2-carbonyl)-N-methylpyrimidine-5-carboxamide (PubChem CID 142166594) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-(6-benzyl-1H-benzimidazole-2-carbonyl)-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(6-benzyl-1H-benzimidazole-2-carbonyl)-N-methylpyrimidine-5-carboxamide
PubChem CID142166594
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name2-(6-benzyl-1H-benzimidazole-2-carbonyl)-N-methylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(C(=O)c2nc3ccc(Cc4ccccc4)cc3[nH]2)nc1
InChIInChI=1S/C21H17N5O2/c1-22-21(28)15-11-23-19(24-12-15)18(27)20-25-16-8-7-14(10-17(16)26-20)9-13-5-3-2-4-6-13/h2-8,10-12H,9H2,1H3,(H,22,28)(H,25,26)
InChIKeyJERBEGAVLVAQNP-UHFFFAOYSA-N
XLogP2.53
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-benzyl-1H-benzimidazole-2-carboxylic acid
CID 76845904
S-(6-benzyl-1H-benzimidazol-2-yl) ethanethioate
CID 21269543
(6-methyl-1H-benzimidazol-2-yl)-phenylmethanone
CID 57126569
4-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzoic acid
CID 116927206
(6-hydroxy-1H-benzimidazol-2-yl)-phenylmethanone
CID 13162244
6-[(2-phenylpyrimidine-5-carbonyl)amino]-1H-benzimidazole-2-carboxylic acid
CID 16665944
methyl 2-benzyl-3H-benzimidazole-5-carboxylate
CID 4915686
N-methyl-2-methylsulfanyl-3H-benzimidazole-5-carboxamide
CID 11356474
2-(ethylaminomethyl)-N-methyl-3H-benzimidazole-5-carboxamide
CID 83949197
methyl 6-(bromomethyl)-1H-benzimidazole-2-carboxylate
CID 131563579
[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-phenylmethanone
CID 45488171
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide
CID 110785727

Frequently Asked Questions

What is the IUPAC name of 2-(6-benzyl-1H-benzimidazole-2-carbonyl)-N-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-(6-benzyl-1H-benzimidazole-2-carbonyl)-N-methylpyrimidine-5-carboxamide (CID 142166594) is 2-(6-benzyl-1H-benzimidazole-2-carbonyl)-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(6-benzyl-1H-benzimidazole-2-carbonyl)-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(6-benzyl-1H-benzimidazole-2-carbonyl)-N-methylpyrimidine-5-carboxamide is CNC(=O)c1cnc(C(=O)c2nc3ccc(Cc4ccccc4)cc3[nH]2)nc1.
What is the InChIKey of 2-(6-benzyl-1H-benzimidazole-2-carbonyl)-N-methylpyrimidine-5-carboxamide?
The InChIKey is JERBEGAVLVAQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-22-21(28)15-11-23-19(24-12-15)18(27)20-25-16-8-7-14(10-17(16)26-20)9-13-5-3-2-4-6-13/h2-8,10-12H,9H2,1H3,(H,22,28)(H,25,26).
What are the key properties of 2-(6-benzyl-1H-benzimidazole-2-carbonyl)-N-methylpyrimidine-5-carboxamide?
2-(6-benzyl-1H-benzimidazole-2-carbonyl)-N-methylpyrimidine-5-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzyl-1H-benzimidazole-2-carbonyl)-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 142166594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).