4-[[(5-methoxy-1-methylbenzimidazol-2-yl)amino]methyl]benzamide

C17H18N4O2 — CID 142463367

IUPAC4-[[(5-methoxy-1-methylbenzimidazol-2-yl)amino]methyl]benzamide
SMILESCOc1ccc2c(c1)nc(NCc1ccc(C(N)=O)cc1)n2C
InChIInChI=1S/C17H18N4O2/c1-21-15-8-7-13(23-2)9-14(15)20-17(21)19-10-11-3-5-12(6-4-11)16(18)22/h3-9H,10H2,1-2H3,(H2,18,22)(H,19,20)
InChIKeyRPHIHJKIPUTKDQ-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.29
Rot. Bonds5

About 4-[[(5-methoxy-1-methylbenzimidazol-2-yl)amino]methyl]benzamide

4-[[(5-methoxy-1-methylbenzimidazol-2-yl)amino]methyl]benzamide (PubChem CID 142463367) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-[[(5-methoxy-1-methylbenzimidazol-2-yl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(5-methoxy-1-methylbenzimidazol-2-yl)amino]methyl]benzamide
PubChem CID142463367
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4-[[(5-methoxy-1-methylbenzimidazol-2-yl)amino]methyl]benzamide
SMILESCOc1ccc2c(c1)nc(NCc1ccc(C(N)=O)cc1)n2C
InChIInChI=1S/C17H18N4O2/c1-21-15-8-7-13(23-2)9-14(15)20-17(21)19-10-11-3-5-12(6-4-11)16(18)22/h3-9H,10H2,1-2H3,(H2,18,22)(H,19,20)
InChIKeyRPHIHJKIPUTKDQ-UHFFFAOYSA-N
XLogP2.29
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(5-chloro-1-methylbenzimidazol-2-yl)amino]methyl]-N-hydroxybenzamide
CID 142463361
1-ethyl-2-N-[(4-methoxyphenyl)methyl]benzimidazole-2,5-diamine
CID 73442424
1-[4-[1-methyl-2-[(4-methylphenyl)methylamino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 160770747
1-methyl-2-N-[(4-methylphenyl)methyl]benzimidazole-2,5-diamine
CID 59674118
2-(4-methoxyanilino)-1-(naphthalen-2-ylmethyl)benzimidazole-5-carboxamide
CID 25166247
2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid
CID 82334255
4-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 27186990
4-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 11673420
2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 28527658
[3-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone
CID 3881211
N-[(2,5-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine
CID 937758
ethyl 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate
CID 155083762

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-methoxy-1-methylbenzimidazol-2-yl)amino]methyl]benzamide?
The IUPAC name of 4-[[(5-methoxy-1-methylbenzimidazol-2-yl)amino]methyl]benzamide (CID 142463367) is 4-[[(5-methoxy-1-methylbenzimidazol-2-yl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[(5-methoxy-1-methylbenzimidazol-2-yl)amino]methyl]benzamide?
The canonical SMILES for 4-[[(5-methoxy-1-methylbenzimidazol-2-yl)amino]methyl]benzamide is COc1ccc2c(c1)nc(NCc1ccc(C(N)=O)cc1)n2C.
What is the InChIKey of 4-[[(5-methoxy-1-methylbenzimidazol-2-yl)amino]methyl]benzamide?
The InChIKey is RPHIHJKIPUTKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-21-15-8-7-13(23-2)9-14(15)20-17(21)19-10-11-3-5-12(6-4-11)16(18)22/h3-9H,10H2,1-2H3,(H2,18,22)(H,19,20).
What are the key properties of 4-[[(5-methoxy-1-methylbenzimidazol-2-yl)amino]methyl]benzamide?
4-[[(5-methoxy-1-methylbenzimidazol-2-yl)amino]methyl]benzamide has a molecular weight of 310.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-methoxy-1-methylbenzimidazol-2-yl)amino]methyl]benzamide is sourced from PubChem (CID 142463367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).