(2S)-2-(4-chloro-1H-benzimidazol-2-yl)propan-1-amine

C10H12ClN3 — CID 94542564

IUPAC(2S)-2-(4-chloro-1H-benzimidazol-2-yl)propan-1-amine
SMILESC[C@@H](CN)c1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C10H12ClN3/c1-6(5-12)10-13-8-4-2-3-7(11)9(8)14-10/h2-4,6H,5,12H2,1H3,(H,13,14)/t6-/m0/s1
InChIKeyGUXOEGUUXGBDKZ-LURJTMIESA-N
MW209.68 g/mol
LogP2.28
Rot. Bonds2

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

(2S)-2-(4-chloro-1H-benzimidazol-2-yl)propan-1-amine (PubChem CID 94542564) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is (2S)-2-(4-chloro-1H-benzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name(2S)-2-(4-chloro-1H-benzimidazol-2-yl)propan-1-amine
PubChem CID94542564
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name(2S)-2-(4-chloro-1H-benzimidazol-2-yl)propan-1-amine
SMILESC[C@@H](CN)c1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C10H12ClN3/c1-6(5-12)10-13-8-4-2-3-7(11)9(8)14-10/h2-4,6H,5,12H2,1H3,(H,13,14)/t6-/m0/s1
InChIKeyGUXOEGUUXGBDKZ-LURJTMIESA-N
XLogP2.28
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chloro-1H-benzimidazol-2-yl)pentan-1-amine
CID 104683345
4-chloro-2-pentan-2-yl-1H-benzimidazole
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2-(4-bromo-1H-benzimidazol-2-yl)propan-1-amine
CID 83866913
(2R)-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine
CID 94542551
4-chloro-2-(1-phenylpropyl)-1H-benzimidazole
CID 64724538
4-chloro-2-ethoxy-1H-benzimidazole
CID 69014735
2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 65233339
3-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropanoic acid
CID 83868022
(2S)-2-amino-N-(4-chloro-1H-benzimidazol-2-yl)-4-methylpentanamide;hydrochloride
CID 119808417
3-amino-N-(4-chloro-1H-benzimidazol-2-yl)-2-methylbutanamide
CID 120501807
(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethanamine
CID 83857640
2-(3H-imidazo[4,5-c]pyridin-2-yl)propan-1-amine
CID 63268874

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-1H-benzimidazol-2-yl)propan-1-amine?
The IUPAC name of (2S)-2-(4-chloro-1H-benzimidazol-2-yl)propan-1-amine (CID 94542564) is (2S)-2-(4-chloro-1H-benzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for (2S)-2-(4-chloro-1H-benzimidazol-2-yl)propan-1-amine?
The canonical SMILES for (2S)-2-(4-chloro-1H-benzimidazol-2-yl)propan-1-amine is C[C@@H](CN)c1nc2c(Cl)cccc2[nH]1.
What is the InChIKey of (2S)-2-(4-chloro-1H-benzimidazol-2-yl)propan-1-amine?
The InChIKey is GUXOEGUUXGBDKZ-LURJTMIESA-N. The full InChI is InChI=1S/C10H12ClN3/c1-6(5-12)10-13-8-4-2-3-7(11)9(8)14-10/h2-4,6H,5,12H2,1H3,(H,13,14)/t6-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-1H-benzimidazol-2-yl)propan-1-amine?
(2S)-2-(4-chloro-1H-benzimidazol-2-yl)propan-1-amine has a molecular weight of 209.68 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-1H-benzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 94542564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).