bis(1-ethylbenzimidazol-2-yl)methanone

C19H18N4O — CID 22887473

IUPACbis(1-ethylbenzimidazol-2-yl)methanone
SMILESCCn1c(C(=O)c2nc3ccccc3n2CC)nc2ccccc21
InChIInChI=1S/C19H18N4O/c1-3-22-15-11-7-5-9-13(15)20-18(22)17(24)19-21-14-10-6-8-12-16(14)23(19)4-2/h5-12H,3-4H2,1-2H3
InChIKeyXZGHCLZLKRZAFZ-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.66
Rot. Bonds4

About bis(1-ethylbenzimidazol-2-yl)methanone

bis(1-ethylbenzimidazol-2-yl)methanone (PubChem CID 22887473) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is bis(1-ethylbenzimidazol-2-yl)methanone.

Molecular Properties

Compound Namebis(1-ethylbenzimidazol-2-yl)methanone
PubChem CID22887473
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Namebis(1-ethylbenzimidazol-2-yl)methanone
SMILESCCn1c(C(=O)c2nc3ccccc3n2CC)nc2ccccc21
InChIInChI=1S/C19H18N4O/c1-3-22-15-11-7-5-9-13(15)20-18(22)17(24)19-21-14-10-6-8-12-16(14)23(19)4-2/h5-12H,3-4H2,1-2H3
InChIKeyXZGHCLZLKRZAFZ-UHFFFAOYSA-N
XLogP3.66
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze bis(1-ethylbenzimidazol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-ethylbenzimidazol-2-yl)-phenylmethanone
CID 67579558
1-(1-ethylbenzimidazol-2-yl)ethanone
CID 5149999
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
CID 720898
1-ethyl-2-hydroxysulfanylbenzimidazole
CID 143815190
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
1-ethyl-2-(tribromomethylsulfonyl)benzimidazole
CID 20741068
1-[1-(2-hydroxyethyl)benzimidazol-2-yl]ethanone
CID 12515570
1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one
CID 79753443
3-(1-ethylbenzimidazol-2-yl)-2,2-difluoropropanoic acid
CID 79753743
(2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone
CID 711826

Frequently Asked Questions

What is the IUPAC name of bis(1-ethylbenzimidazol-2-yl)methanone?
The IUPAC name of bis(1-ethylbenzimidazol-2-yl)methanone (CID 22887473) is bis(1-ethylbenzimidazol-2-yl)methanone.
What is the SMILES notation for bis(1-ethylbenzimidazol-2-yl)methanone?
The canonical SMILES for bis(1-ethylbenzimidazol-2-yl)methanone is CCn1c(C(=O)c2nc3ccccc3n2CC)nc2ccccc21.
What is the InChIKey of bis(1-ethylbenzimidazol-2-yl)methanone?
The InChIKey is XZGHCLZLKRZAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-3-22-15-11-7-5-9-13(15)20-18(22)17(24)19-21-14-10-6-8-12-16(14)23(19)4-2/h5-12H,3-4H2,1-2H3.
What are the key properties of bis(1-ethylbenzimidazol-2-yl)methanone?
bis(1-ethylbenzimidazol-2-yl)methanone has a molecular weight of 318.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-ethylbenzimidazol-2-yl)methanone is sourced from PubChem (CID 22887473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).