1-(7-chloro-1-methylbenzimidazol-5-yl)propan-2-amine

C11H14ClN3 — CID 83891504

IUPAC1-(7-chloro-1-methylbenzimidazol-5-yl)propan-2-amine
SMILESCC(N)Cc1cc(Cl)c2c(c1)ncn2C
InChIInChI=1S/C11H14ClN3/c1-7(13)3-8-4-9(12)11-10(5-8)14-6-15(11)2/h4-7H,3,13H2,1-2H3
InChIKeyJDDCILMFYJXETC-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.12
Rot. Bonds2

About 1-(7-chloro-1-methylbenzimidazol-5-yl)propan-2-amine

1-(7-chloro-1-methylbenzimidazol-5-yl)propan-2-amine (PubChem CID 83891504) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 1-(7-chloro-1-methylbenzimidazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(7-chloro-1-methylbenzimidazol-5-yl)propan-2-amine
PubChem CID83891504
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name1-(7-chloro-1-methylbenzimidazol-5-yl)propan-2-amine
SMILESCC(N)Cc1cc(Cl)c2c(c1)ncn2C
InChIInChI=1S/C11H14ClN3/c1-7(13)3-8-4-9(12)11-10(5-8)14-6-15(11)2/h4-7H,3,13H2,1-2H3
InChIKeyJDDCILMFYJXETC-UHFFFAOYSA-N
XLogP2.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine
CID 95404460
2-(7-chloro-1-propan-2-ylbenzimidazol-5-yl)ethanamine
CID 83897839
1-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine
CID 117290522
4-(1-methylbenzimidazol-5-yl)butan-2-amine
CID 82491785
1-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine
CID 82876572
3-(7-bromo-1-methylbenzimidazol-5-yl)propan-1-amine
CID 83902839
1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine
CID 117307518
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
(2S)-1-(4-bromo-3-chlorophenyl)propan-2-amine
CID 130730966
1-quinoxalin-6-ylpropan-2-amine
CID 55253948
1-[3-chloro-4-(4-chloro-3-methylpyrazol-1-yl)phenyl]propan-2-amine
CID 81166623
1-(3-chloro-5-fluoro-4-methoxyphenyl)propan-2-amine
CID 117310361

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-methylbenzimidazol-5-yl)propan-2-amine?
The IUPAC name of 1-(7-chloro-1-methylbenzimidazol-5-yl)propan-2-amine (CID 83891504) is 1-(7-chloro-1-methylbenzimidazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(7-chloro-1-methylbenzimidazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(7-chloro-1-methylbenzimidazol-5-yl)propan-2-amine is CC(N)Cc1cc(Cl)c2c(c1)ncn2C.
What is the InChIKey of 1-(7-chloro-1-methylbenzimidazol-5-yl)propan-2-amine?
The InChIKey is JDDCILMFYJXETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-7(13)3-8-4-9(12)11-10(5-8)14-6-15(11)2/h4-7H,3,13H2,1-2H3.
What are the key properties of 1-(7-chloro-1-methylbenzimidazol-5-yl)propan-2-amine?
1-(7-chloro-1-methylbenzimidazol-5-yl)propan-2-amine has a molecular weight of 223.71 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-methylbenzimidazol-5-yl)propan-2-amine is sourced from PubChem (CID 83891504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).