4-(4-chloro-1H-benzimidazol-2-yl)pentan-1-amine

C12H16ClN3 — CID 104683345

IUPAC4-(4-chloro-1H-benzimidazol-2-yl)pentan-1-amine
SMILESCC(CCCN)c1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C12H16ClN3/c1-8(4-3-7-14)12-15-10-6-2-5-9(13)11(10)16-12/h2,5-6,8H,3-4,7,14H2,1H3,(H,15,16)
InChIKeyKQARJEADFWNDQR-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.06
Rot. Bonds4

About 4-(4-chloro-1H-benzimidazol-2-yl)pentan-1-amine

4-(4-chloro-1H-benzimidazol-2-yl)pentan-1-amine (PubChem CID 104683345) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 4-(4-chloro-1H-benzimidazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name4-(4-chloro-1H-benzimidazol-2-yl)pentan-1-amine
PubChem CID104683345
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name4-(4-chloro-1H-benzimidazol-2-yl)pentan-1-amine
SMILESCC(CCCN)c1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C12H16ClN3/c1-8(4-3-7-14)12-15-10-6-2-5-9(13)11(10)16-12/h2,5-6,8H,3-4,7,14H2,1H3,(H,15,16)
InChIKeyKQARJEADFWNDQR-UHFFFAOYSA-N
XLogP3.06
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(4-chloro-1H-benzimidazol-2-yl)pentan-1-amine 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

(2S)-2-(4-chloro-1H-benzimidazol-2-yl)propan-1-amine
CID 94542564
4-chloro-2-pentan-2-yl-1H-benzimidazole
CID 60978644
4-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-1-amine
CID 104683398
(2R)-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine
CID 94542551
4-(2,6-dichlorophenyl)pentan-1-amine
CID 83924946
2-(4-bromo-1H-benzimidazol-2-yl)propan-1-amine
CID 83866913
4-chloro-2-(1-phenylpropyl)-1H-benzimidazole
CID 64724538
4-(2-chloro-6-fluorophenyl)pentan-1-amine
CID 83925264
4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pentan-1-amine
CID 104683311
4-chloro-2-ethoxy-1H-benzimidazole
CID 69014735
3-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropanoic acid
CID 83868022
N-ethyl-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine
CID 62852421

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1H-benzimidazol-2-yl)pentan-1-amine?
The IUPAC name of 4-(4-chloro-1H-benzimidazol-2-yl)pentan-1-amine (CID 104683345) is 4-(4-chloro-1H-benzimidazol-2-yl)pentan-1-amine.
What is the SMILES notation for 4-(4-chloro-1H-benzimidazol-2-yl)pentan-1-amine?
The canonical SMILES for 4-(4-chloro-1H-benzimidazol-2-yl)pentan-1-amine is CC(CCCN)c1nc2c(Cl)cccc2[nH]1.
What is the InChIKey of 4-(4-chloro-1H-benzimidazol-2-yl)pentan-1-amine?
The InChIKey is KQARJEADFWNDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-8(4-3-7-14)12-15-10-6-2-5-9(13)11(10)16-12/h2,5-6,8H,3-4,7,14H2,1H3,(H,15,16).
What are the key properties of 4-(4-chloro-1H-benzimidazol-2-yl)pentan-1-amine?
4-(4-chloro-1H-benzimidazol-2-yl)pentan-1-amine has a molecular weight of 237.73 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1H-benzimidazol-2-yl)pentan-1-amine is sourced from PubChem (CID 104683345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).