3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine

C15H21N3 — CID 96674760

IUPAC3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine
SMILESCNCCCc1ccc2c(c1)nc(C1CC1)n2C
InChIInChI=1S/C15H21N3/c1-16-9-3-4-11-5-8-14-13(10-11)17-15(18(14)2)12-6-7-12/h5,8,10,12,16H,3-4,6-7,9H2,1-2H3
InChIKeyAMQCKDMKFISXLB-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.60
Rot. Bonds5

About 3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine

3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine (PubChem CID 96674760) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine
PubChem CID96674760
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine
SMILESCNCCCc1ccc2c(c1)nc(C1CC1)n2C
InChIInChI=1S/C15H21N3/c1-16-9-3-4-11-5-8-14-13(10-11)17-15(18(14)2)12-6-7-12/h5,8,10,12,16H,3-4,6-7,9H2,1-2H3
InChIKeyAMQCKDMKFISXLB-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.60
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

N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 110791866
4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one
CID 82497246
4-(2-cyclopentyl-1-methylbenzimidazol-5-yl)butanenitrile
CID 82501811
O-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine
CID 117309592
1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylpropan-2-amine
CID 82497493
1-benzyl-3-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]urea
CID 110776249
(2-cyclooctyl-1-methylbenzimidazol-5-yl)methanamine
CID 65040386
2-cyclopropyl-5-[(dimethylsulfamoylamino)methyl]-1-methylbenzimidazole
CID 110786179
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]pentanamide
CID 110786135
N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]-2-methoxybenzamide
CID 110791879
2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 110773369
2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-(2-methylpropyl)acetamide
CID 110773345

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine (CID 96674760) is 3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine is CNCCCc1ccc2c(c1)nc(C1CC1)n2C.
What is the InChIKey of 3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine?
The InChIKey is AMQCKDMKFISXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-16-9-3-4-11-5-8-14-13(10-11)17-15(18(14)2)12-6-7-12/h5,8,10,12,16H,3-4,6-7,9H2,1-2H3.
What are the key properties of 3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine?
3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 96674760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).