1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine

C14H24ClN3 — CID 107095115

IUPAC1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine
SMILESCCCCc1nc(Cl)c(CNCC2(CC)CC2)[nH]1
InChIInChI=1S/C14H24ClN3/c1-3-5-6-12-17-11(13(15)18-12)9-16-10-14(4-2)7-8-14/h16H,3-10H2,1-2H3,(H,17,18)
InChIKeyBNVRHSCJBPWVLM-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.69
Rot. Bonds8

About 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine

1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine (PubChem CID 107095115) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine
PubChem CID107095115
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC Name1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine
SMILESCCCCc1nc(Cl)c(CNCC2(CC)CC2)[nH]1
InChIInChI=1S/C14H24ClN3/c1-3-5-6-12-17-11(13(15)18-12)9-16-10-14(4-2)7-8-14/h16H,3-10H2,1-2H3,(H,17,18)
InChIKeyBNVRHSCJBPWVLM-UHFFFAOYSA-N
XLogP3.69
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine (CID 107095115) is 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine is CCCCc1nc(Cl)c(CNCC2(CC)CC2)[nH]1.
What is the InChIKey of 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine?
The InChIKey is BNVRHSCJBPWVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-3-5-6-12-17-11(13(15)18-12)9-16-10-14(4-2)7-8-14/h16H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine?
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine has a molecular weight of 269.82 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 107095115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).