N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]furan-2-carboxamide

C19H15N3O2 — CID 30157732

IUPACN-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]furan-2-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)c1nc2ccccc2[nH]1)c1ccco1
InChIInChI=1S/C19H15N3O2/c23-19(16-11-6-12-24-16)22-17(13-7-2-1-3-8-13)18-20-14-9-4-5-10-15(14)21-18/h1-12,17H,(H,20,21)(H,22,23)/t17-/m0/s1
InChIKeyAHZNTYZRVAFFFF-KRWDZBQOSA-N
MW317.35 g/mol
LogP3.68
Rot. Bonds4

About N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]furan-2-carboxamide

N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]furan-2-carboxamide (PubChem CID 30157732) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]furan-2-carboxamide
PubChem CID30157732
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC NameN-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]furan-2-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)c1nc2ccccc2[nH]1)c1ccco1
InChIInChI=1S/C19H15N3O2/c23-19(16-11-6-12-24-16)22-17(13-7-2-1-3-8-13)18-20-14-9-4-5-10-15(14)21-18/h1-12,17H,(H,20,21)(H,22,23)/t17-/m0/s1
InChIKeyAHZNTYZRVAFFFF-KRWDZBQOSA-N
XLogP3.68
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-fluorobenzamide
CID 43889813
N-[(S)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]furan-2-carboxamide
CID 25358436
N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbutanamide
CID 43889826
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 35808153
N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide
CID 43889810
N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 118986188
(2R)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-3-oxopropanenitrile
CID 6928339
N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)butanamide
CID 118986194
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 110204562
N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78769855
4-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43889998
N-[(R)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]furan-2-carboxamide
CID 721385

Frequently Asked Questions

What is the IUPAC name of N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]furan-2-carboxamide (CID 30157732) is N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]furan-2-carboxamide is O=C(N[C@@H](c1ccccc1)c1nc2ccccc2[nH]1)c1ccco1.
What is the InChIKey of N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]furan-2-carboxamide?
The InChIKey is AHZNTYZRVAFFFF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H15N3O2/c23-19(16-11-6-12-24-16)22-17(13-7-2-1-3-8-13)18-20-14-9-4-5-10-15(14)21-18/h1-12,17H,(H,20,21)(H,22,23)/t17-/m0/s1.
What are the key properties of N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]furan-2-carboxamide?
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]furan-2-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 30157732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).