N,2-dimethyl-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C15H19N3OS — CID 131957753

IUPACN,2-dimethyl-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)N(C)Cc1ccsc1)CC2
InChIInChI=1S/C15H19N3OS/c1-10-16-13-4-3-12(7-14(13)17-10)15(19)18(2)8-11-5-6-20-9-11/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeySEXYXMFPKIZXNJ-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.54
Rot. Bonds3

About N,2-dimethyl-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

N,2-dimethyl-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 131957753) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N,2-dimethyl-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID131957753
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN,2-dimethyl-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)N(C)Cc1ccsc1)CC2
InChIInChI=1S/C15H19N3OS/c1-10-16-13-4-3-12(7-14(13)17-10)15(19)18(2)8-11-5-6-20-9-11/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeySEXYXMFPKIZXNJ-UHFFFAOYSA-N
XLogP2.54
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide
CID 39966819
N-benzyl-2-methyl-N-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640295
(5S)-N,2-dimethyl-N-[[(3R)-oxan-3-yl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 129393812
(5S)-N-benzyl-2-methyl-N-pyridin-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100663527
(3R)-1-cyclopropyl-N-methyl-5-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 94181767
N-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 22962039
N-(4-hydroxyphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640425
N,3-dimethyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide
CID 107067215
(4-ethylpiperazin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
CID 90640322
tert-butyl N-[3-[methyl(thiophen-3-ylmethyl)carbamoyl]cyclopentyl]carbamate
CID 71991539
(7S)-4-(1H-indazol-5-ylamino)-N-methyl-N-(thiophen-3-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 118096100
(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-piperidin-1-ylmethanone
CID 90640304

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N,2-dimethyl-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 131957753) is N,2-dimethyl-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N,2-dimethyl-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1nc2c([nH]1)CC(C(=O)N(C)Cc1ccsc1)CC2.
What is the InChIKey of N,2-dimethyl-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is SEXYXMFPKIZXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10-16-13-4-3-12(7-14(13)17-10)15(19)18(2)8-11-5-6-20-9-11/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of N,2-dimethyl-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N,2-dimethyl-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 131957753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).