2-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-phenylbenzimidazol-1-yl]ethanol

C19H17ClN4OS — CID 168582471

IUPAC2-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-phenylbenzimidazol-1-yl]ethanol
SMILESOCCn1c(-c2ccccc2)nc2cc(NCc3cnc(Cl)s3)ccc21
InChIInChI=1S/C19H17ClN4OS/c20-19-22-12-15(26-19)11-21-14-6-7-17-16(10-14)23-18(24(17)8-9-25)13-4-2-1-3-5-13/h1-7,10,12,21,25H,8-9,11H2
InChIKeyMWCSLDSAMLXXCO-UHFFFAOYSA-N
MW384.89 g/mol
LogP4.42
Rot. Bonds6

About 2-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-phenylbenzimidazol-1-yl]ethanol

2-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-phenylbenzimidazol-1-yl]ethanol (PubChem CID 168582471) has the molecular formula C19H17ClN4OS and a molecular weight of 384.89 g/mol. Its IUPAC name is 2-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-phenylbenzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-phenylbenzimidazol-1-yl]ethanol
PubChem CID168582471
Molecular FormulaC19H17ClN4OS
Molecular Weight384.89 g/mol
Exact Mass384.08
IUPAC Name2-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-phenylbenzimidazol-1-yl]ethanol
SMILESOCCn1c(-c2ccccc2)nc2cc(NCc3cnc(Cl)s3)ccc21
InChIInChI=1S/C19H17ClN4OS/c20-19-22-12-15(26-19)11-21-14-6-7-17-16(10-14)23-18(24(17)8-9-25)13-4-2-1-3-5-13/h1-7,10,12,21,25H,8-9,11H2
InChIKeyMWCSLDSAMLXXCO-UHFFFAOYSA-N
XLogP4.42
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylbenzotriazol-5-amine
CID 168584143
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-quinolin-3-ylaniline
CID 168581849
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303
4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
CID 168582394
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(3-iodophenyl)-1,3-benzoxazol-5-amine
CID 168583468
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)aniline
CID 168581794
5-[1-(2-hydroxyethyl)-2-phenylbenzimidazol-5-yl]furan-2-carbaldehyde
CID 169334349
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline
CID 168581142
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroquinolin-6-amine
CID 168581212
3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168580143
tert-butyl 2-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]carbazol-9-yl]acetate
CID 168582163
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(2-phenoxyethoxy)aniline
CID 168583829

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-phenylbenzimidazol-1-yl]ethanol?
The IUPAC name of 2-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-phenylbenzimidazol-1-yl]ethanol (CID 168582471) is 2-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-phenylbenzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-phenylbenzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-phenylbenzimidazol-1-yl]ethanol is OCCn1c(-c2ccccc2)nc2cc(NCc3cnc(Cl)s3)ccc21.
What is the InChIKey of 2-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-phenylbenzimidazol-1-yl]ethanol?
The InChIKey is MWCSLDSAMLXXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4OS/c20-19-22-12-15(26-19)11-21-14-6-7-17-16(10-14)23-18(24(17)8-9-25)13-4-2-1-3-5-13/h1-7,10,12,21,25H,8-9,11H2.
What are the key properties of 2-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-phenylbenzimidazol-1-yl]ethanol?
2-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-phenylbenzimidazol-1-yl]ethanol has a molecular weight of 384.89 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-phenylbenzimidazol-1-yl]ethanol is sourced from PubChem (CID 168582471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).