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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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).