3-(5-chloro-1-methylbenzimidazol-2-yl)-N-propan-2-ylpropan-1-amine

C14H20ClN3 — CID 60837982

IUPAC3-(5-chloro-1-methylbenzimidazol-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1nc2cc(Cl)ccc2n1C
InChIInChI=1S/C14H20ClN3/c1-10(2)16-8-4-5-14-17-12-9-11(15)6-7-13(12)18(14)3/h6-7,9-10,16H,4-5,8H2,1-3H3
InChIKeyFZZWVLXHCKKAOD-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.16
Rot. Bonds5

About 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-propan-2-ylpropan-1-amine

3-(5-chloro-1-methylbenzimidazol-2-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 60837982) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-1-methylbenzimidazol-2-yl)-N-propan-2-ylpropan-1-amine
PubChem CID60837982
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name3-(5-chloro-1-methylbenzimidazol-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1nc2cc(Cl)ccc2n1C
InChIInChI=1S/C14H20ClN3/c1-10(2)16-8-4-5-14-17-12-9-11(15)6-7-13(12)18(14)3/h6-7,9-10,16H,4-5,8H2,1-3H3
InChIKeyFZZWVLXHCKKAOD-UHFFFAOYSA-N
XLogP3.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-1-methylbenzimidazol-2-yl)-N-ethylethanamine
CID 62327428
2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 71308073
(2S)-N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-2-(dimethylamino)-3-methylbutanamide
CID 86779822
N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 166408298
3-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 82333928
N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]propanamide
CID 166226192
3-(5-chloro-1-methylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol
CID 79872192
N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 75425810
3-[5-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]propan-1-ol
CID 46308166
5-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 62217192
N-methyl-2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 82334064
N-[2-(3-methylimidazo[4,5-c]pyridin-2-yl)ethyl]propan-2-amine
CID 114793422

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-propan-2-ylpropan-1-amine (CID 60837982) is 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-propan-2-ylpropan-1-amine is CC(C)NCCCc1nc2cc(Cl)ccc2n1C.
What is the InChIKey of 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is FZZWVLXHCKKAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-10(2)16-8-4-5-14-17-12-9-11(15)6-7-13(12)18(14)3/h6-7,9-10,16H,4-5,8H2,1-3H3.
What are the key properties of 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-propan-2-ylpropan-1-amine?
3-(5-chloro-1-methylbenzimidazol-2-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 265.79 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 60837982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).