N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C16H15ClN4OS — CID 90640541

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)Nc1nc3ccc(Cl)cc3s1)CC2
InChIInChI=1S/C16H15ClN4OS/c1-8-18-11-4-2-9(6-13(11)19-8)15(22)21-16-20-12-5-3-10(17)7-14(12)23-16/h3,5,7,9H,2,4,6H2,1H3,(H,18,19)(H,20,21,22)
InChIKeyKSFSMPULSINFLN-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.72
Rot. Bonds2

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 90640541) has the molecular formula C16H15ClN4OS and a molecular weight of 346.84 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID90640541
Molecular FormulaC16H15ClN4OS
Molecular Weight346.84 g/mol
Exact Mass346.07
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)Nc1nc3ccc(Cl)cc3s1)CC2
InChIInChI=1S/C16H15ClN4OS/c1-8-18-11-4-2-9(6-13(11)19-8)15(22)21-16-20-12-5-3-10(17)7-14(12)23-16/h3,5,7,9H,2,4,6H2,1H3,(H,18,19)(H,20,21,22)
InChIKeyKSFSMPULSINFLN-UHFFFAOYSA-N
XLogP3.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640508
N-(5-chloro-2-hydroxyphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640483
N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 836745
N-(3-acetylphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640439
2-methyl-N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628425
(3R)-N-(6-chloro-1,3-benzothiazol-2-yl)-1,1-dioxothiolane-3-carboxamide
CID 40952904
(3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 94176221
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 63041965
2-methyl-N-(3-methylsulfanylphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640528
N-(2-carbamoylphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640444
N-(6-chloro-1,3-benzothiazol-2-yl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 46332130
2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl chloride
CID 10703139

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 90640541) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1nc2c([nH]1)CC(C(=O)Nc1nc3ccc(Cl)cc3s1)CC2.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is KSFSMPULSINFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4OS/c1-8-18-11-4-2-9(6-13(11)19-8)15(22)21-16-20-12-5-3-10(17)7-14(12)23-16/h3,5,7,9H,2,4,6H2,1H3,(H,18,19)(H,20,21,22).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 346.84 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 90640541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).