N-[(1-methylbenzimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide

C18H15N3O2 — CID 126797185

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCn1c(CNC(=O)c2cc3ccccc3o2)nc2ccccc21
InChIInChI=1S/C18H15N3O2/c1-21-14-8-4-3-7-13(14)20-17(21)11-19-18(22)16-10-12-6-2-5-9-15(12)23-16/h2-10H,11H2,1H3,(H,19,22)
InChIKeyXVPODBZXBMLLCK-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.25
Rot. Bonds3

About N-[(1-methylbenzimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide

N-[(1-methylbenzimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 126797185) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID126797185
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCn1c(CNC(=O)c2cc3ccccc3o2)nc2ccccc21
InChIInChI=1S/C18H15N3O2/c1-21-14-8-4-3-7-13(14)20-17(21)11-19-18(22)16-10-12-6-2-5-9-15(12)23-16/h2-10H,11H2,1H3,(H,19,22)
InChIKeyXVPODBZXBMLLCK-UHFFFAOYSA-N
XLogP3.25
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 46971081
N-[(1,2-dimethylindol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 3244822
5-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 47161314
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]benzoic acid
CID 75514350
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726
2-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide
CID 91961335
5-(2,3-dichlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]furan-2-carboxamide
CID 47010120
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24611150
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 47344961
N-[4-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572471

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide (CID 126797185) is N-[(1-methylbenzimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide is Cn1c(CNC(=O)c2cc3ccccc3o2)nc2ccccc21.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is XVPODBZXBMLLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-21-14-8-4-3-7-13(14)20-17(21)11-19-18(22)16-10-12-6-2-5-9-15(12)23-16/h2-10H,11H2,1H3,(H,19,22).
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
N-[(1-methylbenzimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 126797185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).