1-cyclopropyl-N-methyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine

C16H23N3 — CID 79750805

IUPAC1-cyclopropyl-N-methyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine
SMILESCNC(CCCc1nc2ccccc2n1C)C1CC1
InChIInChI=1S/C16H23N3/c1-17-13(12-10-11-12)7-5-9-16-18-14-6-3-4-8-15(14)19(16)2/h3-4,6,8,12-13,17H,5,7,9-11H2,1-2H3
InChIKeySGMCYSHBFGQWMW-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.89
Rot. Bonds6

About 1-cyclopropyl-N-methyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine

1-cyclopropyl-N-methyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine (PubChem CID 79750805) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine
PubChem CID79750805
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-cyclopropyl-N-methyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine
SMILESCNC(CCCc1nc2ccccc2n1C)C1CC1
InChIInChI=1S/C16H23N3/c1-17-13(12-10-11-12)7-5-9-16-18-14-6-3-4-8-15(14)19(16)2/h3-4,6,8,12-13,17H,5,7,9-11H2,1-2H3
InChIKeySGMCYSHBFGQWMW-UHFFFAOYSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
1-cyclopropyl-N-ethyl-4-(1-ethylbenzimidazol-2-yl)butan-1-amine
CID 79757596
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 105007530
2-(4-bromo-4-phenylbutyl)-1-methylbenzimidazole
CID 79757624
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 105007618
3-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]butan-1-amine
CID 83962051
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanamine
CID 80622599
2-(4-chlorobutyl)-1-methylbenzimidazole
CID 43142612
N-cyclopentyl-2-[3-(1-methylbenzimidazol-2-yl)propylamino]propanamide
CID 50951475
4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 79750722
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine
CID 79750551

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine?
The IUPAC name of 1-cyclopropyl-N-methyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine (CID 79750805) is 1-cyclopropyl-N-methyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-methyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine is CNC(CCCc1nc2ccccc2n1C)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine?
The InChIKey is SGMCYSHBFGQWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-17-13(12-10-11-12)7-5-9-16-18-14-6-3-4-8-15(14)19(16)2/h3-4,6,8,12-13,17H,5,7,9-11H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-methyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine?
1-cyclopropyl-N-methyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine has a molecular weight of 257.38 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-cyclopropyl-N-methyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 79750805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).