4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methylaniline

C17H18ClN3 — CID 104698506

IUPAC4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methylaniline
SMILESCNc1ccc(-c2nc3cc(Cl)ccc3n2C(C)C)cc1
InChIInChI=1S/C17H18ClN3/c1-11(2)21-16-9-6-13(18)10-15(16)20-17(21)12-4-7-14(19-3)8-5-12/h4-11,19H,1-3H3
InChIKeyFPNXSLTWFPAYQJ-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.98
Rot. Bonds3

About 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methylaniline

4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methylaniline (PubChem CID 104698506) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methylaniline.

Molecular Properties

Compound Name4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methylaniline
PubChem CID104698506
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methylaniline
SMILESCNc1ccc(-c2nc3cc(Cl)ccc3n2C(C)C)cc1
InChIInChI=1S/C17H18ClN3/c1-11(2)21-16-9-6-13(18)10-15(16)20-17(21)12-4-7-14(19-3)8-5-12/h4-11,19H,1-3H3
InChIKeyFPNXSLTWFPAYQJ-UHFFFAOYSA-N
XLogP4.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methylaniline 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

5-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-ol
CID 63852215
2-amino-4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136872091
3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)benzoic acid
CID 4915206
4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylphenol
CID 136750866
5-chloro-2-[(1S)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93258606
4-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylaniline
CID 104698561
3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 60785666
4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylaniline
CID 104698563
5-chloro-1-propan-2-ylbenzimidazole-2-carbaldehyde
CID 50877058
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
CID 61266514
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310662
5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-ol
CID 115473460

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methylaniline?
The IUPAC name of 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methylaniline (CID 104698506) is 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methylaniline.
What is the SMILES notation for 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methylaniline?
The canonical SMILES for 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methylaniline is CNc1ccc(-c2nc3cc(Cl)ccc3n2C(C)C)cc1.
What is the InChIKey of 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methylaniline?
The InChIKey is FPNXSLTWFPAYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-11(2)21-16-9-6-13(18)10-15(16)20-17(21)12-4-7-14(19-3)8-5-12/h4-11,19H,1-3H3.
What are the key properties of 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methylaniline?
4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methylaniline has a molecular weight of 299.81 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methylaniline is sourced from PubChem (CID 104698506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).