2-(6-chloro-1H-benzimidazol-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide

C17H13ClN6OS — CID 77079153

IUPAC2-(6-chloro-1H-benzimidazol-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESO=C(Cc1nc2ccc(Cl)cc2[nH]1)NCc1csc(-c2ncccn2)n1
InChIInChI=1S/C17H13ClN6OS/c18-10-2-3-12-13(6-10)24-14(23-12)7-15(25)21-8-11-9-26-17(22-11)16-19-4-1-5-20-16/h1-6,9H,7-8H2,(H,21,25)(H,23,24)
InChIKeyZZURELCVOKDLDG-UHFFFAOYSA-N
MW384.85 g/mol
LogP2.99
Rot. Bonds5

About 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide

2-(6-chloro-1H-benzimidazol-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 77079153) has the molecular formula C17H13ClN6OS and a molecular weight of 384.85 g/mol. Its IUPAC name is 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-1H-benzimidazol-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID77079153
Molecular FormulaC17H13ClN6OS
Molecular Weight384.85 g/mol
Exact Mass384.06
IUPAC Name2-(6-chloro-1H-benzimidazol-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESO=C(Cc1nc2ccc(Cl)cc2[nH]1)NCc1csc(-c2ncccn2)n1
InChIInChI=1S/C17H13ClN6OS/c18-10-2-3-12-13(6-10)24-14(23-12)7-15(25)21-8-11-9-26-17(22-11)16-19-4-1-5-20-16/h1-6,9H,7-8H2,(H,21,25)(H,23,24)
InChIKeyZZURELCVOKDLDG-UHFFFAOYSA-N
XLogP2.99
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1H-indol-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide
CID 56822183
3-(3,4-difluorophenyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 91788805
N-[(4-chlorophenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434882
2-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 50959390
3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 50983519
4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,5-dichlorophenyl)methyl]butanamide
CID 130474693
(2R,5R)-5-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 155497132
2-(6-chloro-1H-benzimidazol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide
CID 131893501
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 118788473
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]acetamide
CID 118778380
2-(6-chloro-1H-benzimidazol-2-yl)-N-(1-pyridin-4-ylpropyl)acetamide
CID 77096483
2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide
CID 99954928

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide (CID 77079153) is 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide is O=C(Cc1nc2ccc(Cl)cc2[nH]1)NCc1csc(-c2ncccn2)n1.
What is the InChIKey of 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is ZZURELCVOKDLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6OS/c18-10-2-3-12-13(6-10)24-14(23-12)7-15(25)21-8-11-9-26-17(22-11)16-19-4-1-5-20-16/h1-6,9H,7-8H2,(H,21,25)(H,23,24).
What are the key properties of 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
2-(6-chloro-1H-benzimidazol-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 384.85 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 77079153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).