5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-(dimethylamino)-1,3-dihydrobenzimidazol-2-one

C13H14ClN5OS — CID 168579675

IUPAC5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-(dimethylamino)-1,3-dihydrobenzimidazol-2-one
SMILESCN(C)c1cc2[nH]c(=O)[nH]c2cc1NCc1cnc(Cl)s1
InChIInChI=1S/C13H14ClN5OS/c1-19(2)11-4-9-8(17-13(20)18-9)3-10(11)15-5-7-6-16-12(14)21-7/h3-4,6,15H,5H2,1-2H3,(H2,17,18,20)
InChIKeyXOAIXPLOHNBKHA-UHFFFAOYSA-N
MW323.81 g/mol
LogP2.64
Rot. Bonds4

About 5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-(dimethylamino)-1,3-dihydrobenzimidazol-2-one

5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-(dimethylamino)-1,3-dihydrobenzimidazol-2-one (PubChem CID 168579675) has the molecular formula C13H14ClN5OS and a molecular weight of 323.81 g/mol. Its IUPAC name is 5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-(dimethylamino)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-(dimethylamino)-1,3-dihydrobenzimidazol-2-one
PubChem CID168579675
Molecular FormulaC13H14ClN5OS
Molecular Weight323.81 g/mol
Exact Mass323.06
IUPAC Name5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-(dimethylamino)-1,3-dihydrobenzimidazol-2-one
SMILESCN(C)c1cc2[nH]c(=O)[nH]c2cc1NCc1cnc(Cl)s1
InChIInChI=1S/C13H14ClN5OS/c1-19(2)11-4-9-8(17-13(20)18-9)3-10(11)15-5-7-6-16-12(14)21-7/h3-4,6,15H,5H2,1-2H3,(H2,17,18,20)
InChIKeyXOAIXPLOHNBKHA-UHFFFAOYSA-N
XLogP2.64
TPSA76.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-ethyl-4-iodoaniline
CID 168584467
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenol
CID 168580519
3-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenyl]-1H-pyridazin-6-one
CID 168582967
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzene-1,4-diol
CID 168582764
5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine
CID 168582775
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 168583886
1-[5-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]ethanone
CID 168582868
2,4-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethylaniline
CID 168579882
3,4-dichloro-5-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168583957
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-diethyl-3-methylbenzamide
CID 168579788
3-bromo-2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline
CID 168581043
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline
CID 168579588

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-(dimethylamino)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-(dimethylamino)-1,3-dihydrobenzimidazol-2-one (CID 168579675) is 5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-(dimethylamino)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-(dimethylamino)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-(dimethylamino)-1,3-dihydrobenzimidazol-2-one is CN(C)c1cc2[nH]c(=O)[nH]c2cc1NCc1cnc(Cl)s1.
What is the InChIKey of 5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-(dimethylamino)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is XOAIXPLOHNBKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5OS/c1-19(2)11-4-9-8(17-13(20)18-9)3-10(11)15-5-7-6-16-12(14)21-7/h3-4,6,15H,5H2,1-2H3,(H2,17,18,20).
What are the key properties of 5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-(dimethylamino)-1,3-dihydrobenzimidazol-2-one?
5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-(dimethylamino)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 323.81 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-(dimethylamino)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 168579675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).