1-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]-3-(diethylamino)propan-2-ol

C22H28ClN3O — CID 3575373

IUPAC1-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)Cn1c(-c2cccc(Cl)c2)nc2cc(C)c(C)cc21
InChIInChI=1S/C22H28ClN3O/c1-5-25(6-2)13-19(27)14-26-21-11-16(4)15(3)10-20(21)24-22(26)17-8-7-9-18(23)12-17/h7-12,19,27H,5-6,13-14H2,1-4H3
InChIKeyAJAGEWAAFGMTAN-UHFFFAOYSA-N
MW385.94 g/mol
LogP4.68
Rot. Bonds7

About 1-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]-3-(diethylamino)propan-2-ol

1-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]-3-(diethylamino)propan-2-ol (PubChem CID 3575373) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]-3-(diethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]-3-(diethylamino)propan-2-ol
PubChem CID3575373
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC Name1-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)Cn1c(-c2cccc(Cl)c2)nc2cc(C)c(C)cc21
InChIInChI=1S/C22H28ClN3O/c1-5-25(6-2)13-19(27)14-26-21-11-16(4)15(3)10-20(21)24-22(26)17-8-7-9-18(23)12-17/h7-12,19,27H,5-6,13-14H2,1-4H3
InChIKeyAJAGEWAAFGMTAN-UHFFFAOYSA-N
XLogP4.68
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]-3-(diethylamino)propan-2-ol?
The IUPAC name of 1-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]-3-(diethylamino)propan-2-ol (CID 3575373) is 1-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]-3-(diethylamino)propan-2-ol.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]-3-(diethylamino)propan-2-ol?
The canonical SMILES for 1-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]-3-(diethylamino)propan-2-ol is CCN(CC)CC(O)Cn1c(-c2cccc(Cl)c2)nc2cc(C)c(C)cc21.
What is the InChIKey of 1-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]-3-(diethylamino)propan-2-ol?
The InChIKey is AJAGEWAAFGMTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O/c1-5-25(6-2)13-19(27)14-26-21-11-16(4)15(3)10-20(21)24-22(26)17-8-7-9-18(23)12-17/h7-12,19,27H,5-6,13-14H2,1-4H3.
What are the key properties of 1-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]-3-(diethylamino)propan-2-ol?
1-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]-3-(diethylamino)propan-2-ol has a molecular weight of 385.94 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]-3-(diethylamino)propan-2-ol is sourced from PubChem (CID 3575373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).