3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)propan-1-amine

C11H14ClN3 — CID 82184501

IUPAC3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)propan-1-amine
SMILESCc1cc2[nH]c(CCCN)nc2cc1Cl
InChIInChI=1S/C11H14ClN3/c1-7-5-9-10(6-8(7)12)15-11(14-9)3-2-4-13/h5-6H,2-4,13H2,1H3,(H,14,15)
InChIKeyBXOMKWRSLVSBDC-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.42
Rot. Bonds3

About 3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)propan-1-amine

3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)propan-1-amine (PubChem CID 82184501) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)propan-1-amine
PubChem CID82184501
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)propan-1-amine
SMILESCc1cc2[nH]c(CCCN)nc2cc1Cl
InChIInChI=1S/C11H14ClN3/c1-7-5-9-10(6-8(7)12)15-11(14-9)3-2-4-13/h5-6H,2-4,13H2,1H3,(H,14,15)
InChIKeyBXOMKWRSLVSBDC-UHFFFAOYSA-N
XLogP2.42
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-6-methyl-2-(2-methylpropyl)-1H-benzimidazole
CID 165144427
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine
CID 62336189
2-(3-aminopropyl)-N,N-dimethyl-3H-benzimidazol-5-amine
CID 82285613
5,6-dichloro-2-(3-ethoxypropyl)-1H-benzimidazole
CID 82003888
5,6-dichloro-2-(2-chloroethyl)-1H-benzimidazole
CID 82004888
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
5,6-difluoro-2-nonyl-1H-benzimidazole
CID 65427108
(1R)-1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 94673305
1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 82184476
4-(5,6-dichloro-1H-benzimidazol-2-yl)butanoic acid
CID 82001975
5,6-dichloro-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 39158463
2-tert-butyl-5-chloro-6-methyl-1H-benzimidazole
CID 58897196

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)propan-1-amine?
The IUPAC name of 3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)propan-1-amine (CID 82184501) is 3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)propan-1-amine is Cc1cc2[nH]c(CCCN)nc2cc1Cl.
What is the InChIKey of 3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)propan-1-amine?
The InChIKey is BXOMKWRSLVSBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-7-5-9-10(6-8(7)12)15-11(14-9)3-2-4-13/h5-6H,2-4,13H2,1H3,(H,14,15).
What are the key properties of 3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)propan-1-amine?
3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)propan-1-amine has a molecular weight of 223.71 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 82184501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).