1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine

C15H23N3 — CID 79754187

IUPAC1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CC)Cc1nc2ccccc2n1C
InChIInChI=1S/C15H23N3/c1-4-10-16-12(5-2)11-15-17-13-8-6-7-9-14(13)18(15)3/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyMEGJTLMJFNQXRE-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.89
Rot. Bonds6

About 1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine

1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine (PubChem CID 79754187) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine
PubChem CID79754187
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CC)Cc1nc2ccccc2n1C
InChIInChI=1S/C15H23N3/c1-4-10-16-12(5-2)11-15-17-13-8-6-7-9-14(13)18(15)3/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyMEGJTLMJFNQXRE-UHFFFAOYSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylbenzimidazol-2-yl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105164919
3-methoxy-1-(1-methylbenzimidazol-2-yl)-N-propylpentan-2-amine
CID 116716179
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
3-methyl-1-(1-methylbenzimidazol-2-yl)-N-propylhexan-2-amine
CID 105007682
N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79754110
1-methylsulfanyl-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine
CID 79756659
N-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79750698
N-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-amine
CID 105007516
1-(1-methylbenzimidazol-2-yl)-N-propan-2-ylhexan-2-amine
CID 79750942
N,4,4-trimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79750625
N,5-dimethyl-1-(1-methylbenzimidazol-2-yl)hexan-2-amine
CID 79750546
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine?
The IUPAC name of 1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine (CID 79754187) is 1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine?
The canonical SMILES for 1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine is CCCNC(CC)Cc1nc2ccccc2n1C.
What is the InChIKey of 1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine?
The InChIKey is MEGJTLMJFNQXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-10-16-12(5-2)11-15-17-13-8-6-7-9-14(13)18(15)3/h6-9,12,16H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine?
1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine has a molecular weight of 245.37 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 79754187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).