2-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-3H-benzimidazole-5-carboxamide

C17H19N3OS — CID 51495335

IUPAC2-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)N[C@@H](c3cccs3)C(C)C)cc2[nH]1
InChIInChI=1S/C17H19N3OS/c1-10(2)16(15-5-4-8-22-15)20-17(21)12-6-7-13-14(9-12)19-11(3)18-13/h4-10,16H,1-3H3,(H,18,19)(H,20,21)/t16-/m1/s1
InChIKeyOUTKFCPEDGWOFO-MRXNPFEDSA-N
MW313.43 g/mol
LogP4.06
Rot. Bonds4

About 2-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-3H-benzimidazole-5-carboxamide

2-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-3H-benzimidazole-5-carboxamide (PubChem CID 51495335) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-3H-benzimidazole-5-carboxamide
PubChem CID51495335
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name2-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)N[C@@H](c3cccs3)C(C)C)cc2[nH]1
InChIInChI=1S/C17H19N3OS/c1-10(2)16(15-5-4-8-22-15)20-17(21)12-6-7-13-14(9-12)19-11(3)18-13/h4-10,16H,1-3H3,(H,18,19)(H,20,21)/t16-/m1/s1
InChIKeyOUTKFCPEDGWOFO-MRXNPFEDSA-N
XLogP4.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051719
4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051637
N-(2-methyl-1-thiophen-2-ylpropyl)-3-nitrobenzamide
CID 46691946
3-(difluoromethoxy)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051674
2-(methylamino)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one
CID 82493358
3-bromo-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 104852226
N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 70877342
2-methyl-N-propyl-3H-benzimidazole-5-carboxamide
CID 594617
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110692469
2,2-dibromo-1-(2-methyl-3H-benzimidazol-5-yl)ethanone
CID 116827124
N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide
CID 95192585
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-3H-benzimidazole-5-carboxamide (CID 51495335) is 2-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-3H-benzimidazole-5-carboxamide is Cc1nc2ccc(C(=O)N[C@@H](c3cccs3)C(C)C)cc2[nH]1.
What is the InChIKey of 2-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is OUTKFCPEDGWOFO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-10(2)16(15-5-4-8-22-15)20-17(21)12-6-7-13-14(9-12)19-11(3)18-13/h4-10,16H,1-3H3,(H,18,19)(H,20,21)/t16-/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-3H-benzimidazole-5-carboxamide?
2-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 51495335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).