2-methyl-7-phenylmethoxy-3H-benzimidazole-5-carboxamide

C16H15N3O2 — CID 156634517

IUPAC2-methyl-7-phenylmethoxy-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c(OCc3ccccc3)cc(C(N)=O)cc2[nH]1
InChIInChI=1S/C16H15N3O2/c1-10-18-13-7-12(16(17)20)8-14(15(13)19-10)21-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,17,20)(H,18,19)
InChIKeyYWMGBPFCLHCJPL-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.55
Rot. Bonds4

About 2-methyl-7-phenylmethoxy-3H-benzimidazole-5-carboxamide

2-methyl-7-phenylmethoxy-3H-benzimidazole-5-carboxamide (PubChem CID 156634517) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-methyl-7-phenylmethoxy-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-7-phenylmethoxy-3H-benzimidazole-5-carboxamide
PubChem CID156634517
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-methyl-7-phenylmethoxy-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c(OCc3ccccc3)cc(C(N)=O)cc2[nH]1
InChIInChI=1S/C16H15N3O2/c1-10-18-13-7-12(16(17)20)8-14(15(13)19-10)21-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,17,20)(H,18,19)
InChIKeyYWMGBPFCLHCJPL-UHFFFAOYSA-N
XLogP2.55
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-7-phenylmethoxy-3H-benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-phenylmethoxy-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-methyl-7-phenylmethoxy-3H-benzimidazole-5-carboxamide (CID 156634517) is 2-methyl-7-phenylmethoxy-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-7-phenylmethoxy-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-methyl-7-phenylmethoxy-3H-benzimidazole-5-carboxamide is Cc1nc2c(OCc3ccccc3)cc(C(N)=O)cc2[nH]1.
What is the InChIKey of 2-methyl-7-phenylmethoxy-3H-benzimidazole-5-carboxamide?
The InChIKey is YWMGBPFCLHCJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-18-13-7-12(16(17)20)8-14(15(13)19-10)21-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of 2-methyl-7-phenylmethoxy-3H-benzimidazole-5-carboxamide?
2-methyl-7-phenylmethoxy-3H-benzimidazole-5-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-phenylmethoxy-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 156634517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).