(6-chloro-1-ethylbenzimidazol-2-yl)-diphenylmethanol

C22H19ClN2O — CID 126726250

IUPAC(6-chloro-1-ethylbenzimidazol-2-yl)-diphenylmethanol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(Cl)cc21
InChIInChI=1S/C22H19ClN2O/c1-2-25-20-15-18(23)13-14-19(20)24-21(25)22(26,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,26H,2H2,1H3
InChIKeyBDQRGVMZOMIZNT-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.99
Rot. Bonds4

About (6-chloro-1-ethylbenzimidazol-2-yl)-diphenylmethanol

(6-chloro-1-ethylbenzimidazol-2-yl)-diphenylmethanol (PubChem CID 126726250) has the molecular formula C22H19ClN2O and a molecular weight of 362.86 g/mol. Its IUPAC name is (6-chloro-1-ethylbenzimidazol-2-yl)-diphenylmethanol.

Molecular Properties

Compound Name(6-chloro-1-ethylbenzimidazol-2-yl)-diphenylmethanol
PubChem CID126726250
Molecular FormulaC22H19ClN2O
Molecular Weight362.86 g/mol
Exact Mass362.12
IUPAC Name(6-chloro-1-ethylbenzimidazol-2-yl)-diphenylmethanol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(Cl)cc21
InChIInChI=1S/C22H19ClN2O/c1-2-25-20-15-18(23)13-14-19(20)24-21(25)22(26,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,26H,2H2,1H3
InChIKeyBDQRGVMZOMIZNT-UHFFFAOYSA-N
XLogP4.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-1-ethylbenzimidazol-2-yl)-diphenylmethanol?
The IUPAC name of (6-chloro-1-ethylbenzimidazol-2-yl)-diphenylmethanol (CID 126726250) is (6-chloro-1-ethylbenzimidazol-2-yl)-diphenylmethanol.
What is the SMILES notation for (6-chloro-1-ethylbenzimidazol-2-yl)-diphenylmethanol?
The canonical SMILES for (6-chloro-1-ethylbenzimidazol-2-yl)-diphenylmethanol is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(Cl)cc21.
What is the InChIKey of (6-chloro-1-ethylbenzimidazol-2-yl)-diphenylmethanol?
The InChIKey is BDQRGVMZOMIZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O/c1-2-25-20-15-18(23)13-14-19(20)24-21(25)22(26,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,26H,2H2,1H3.
What are the key properties of (6-chloro-1-ethylbenzimidazol-2-yl)-diphenylmethanol?
(6-chloro-1-ethylbenzimidazol-2-yl)-diphenylmethanol has a molecular weight of 362.86 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1-ethylbenzimidazol-2-yl)-diphenylmethanol is sourced from PubChem (CID 126726250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).