N-[(S)-phenyl(thiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide

C19H15N3OS — CID 27885939

IUPACN-[(S)-phenyl(thiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)c1cccs1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C19H15N3OS/c23-19(14-8-9-15-16(11-14)21-12-20-15)22-18(17-7-4-10-24-17)13-5-2-1-3-6-13/h1-12,18H,(H,20,21)(H,22,23)/t18-/m0/s1
InChIKeyADMQKHKTMSNJQW-SFHVURJKSA-N
MW333.42 g/mol
LogP4.14
Rot. Bonds4

About N-[(S)-phenyl(thiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide

N-[(S)-phenyl(thiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 27885939) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is N-[(S)-phenyl(thiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(S)-phenyl(thiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID27885939
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC NameN-[(S)-phenyl(thiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)c1cccs1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C19H15N3OS/c23-19(14-8-9-15-16(11-14)21-12-20-15)22-18(17-7-4-10-24-17)13-5-2-1-3-6-13/h1-12,18H,(H,20,21)(H,22,23)/t18-/m0/s1
InChIKeyADMQKHKTMSNJQW-SFHVURJKSA-N
XLogP4.14
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylsulfinyl-1-phenylethyl)-3H-benzimidazole-5-carboxamide
CID 71980141
6-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 41023450
3-nitro-N-[phenyl(thiophen-2-yl)methyl]benzamide
CID 46449776
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820635
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-bromothiophene-2-carboxamide
CID 78886873
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(carbamoylamino)benzamide
CID 78839231
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 78894239
3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820699
3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8854012
4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide
CID 46564732
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 25388837

Frequently Asked Questions

What is the IUPAC name of N-[(S)-phenyl(thiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(S)-phenyl(thiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide (CID 27885939) is N-[(S)-phenyl(thiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(S)-phenyl(thiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(S)-phenyl(thiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide is O=C(N[C@@H](c1ccccc1)c1cccs1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[(S)-phenyl(thiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is ADMQKHKTMSNJQW-SFHVURJKSA-N. The full InChI is InChI=1S/C19H15N3OS/c23-19(14-8-9-15-16(11-14)21-12-20-15)22-18(17-7-4-10-24-17)13-5-2-1-3-6-13/h1-12,18H,(H,20,21)(H,22,23)/t18-/m0/s1.
What are the key properties of N-[(S)-phenyl(thiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide?
N-[(S)-phenyl(thiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-phenyl(thiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 27885939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).