N'-(3-chloro-2-imidazol-1-ylphenyl)-2-propan-2-ylpropane-1,3-diamine

C15H21ClN4 — CID 107441412

IUPACN'-(3-chloro-2-imidazol-1-ylphenyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C15H21ClN4/c1-11(2)12(8-17)9-19-14-5-3-4-13(16)15(14)20-7-6-18-10-20/h3-7,10-12,19H,8-9,17H2,1-2H3
InChIKeyAEYJXDVLWZBTCQ-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.17
Rot. Bonds6

About N'-(3-chloro-2-imidazol-1-ylphenyl)-2-propan-2-ylpropane-1,3-diamine

N'-(3-chloro-2-imidazol-1-ylphenyl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107441412) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is N'-(3-chloro-2-imidazol-1-ylphenyl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-chloro-2-imidazol-1-ylphenyl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID107441412
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC NameN'-(3-chloro-2-imidazol-1-ylphenyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C15H21ClN4/c1-11(2)12(8-17)9-19-14-5-3-4-13(16)15(14)20-7-6-18-10-20/h3-7,10-12,19H,8-9,17H2,1-2H3
InChIKeyAEYJXDVLWZBTCQ-UHFFFAOYSA-N
XLogP3.17
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N'-(3-chloro-2-imidazol-1-ylphenyl)-2-propan-2-ylpropane-1,3-diamine with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-Chlorophenyl)-1H-imidazole
CID 99349
3-chloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)aniline
CID 24948458
1-(4-chlorophenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea
CID 3585502
N-(4-chlorophenyl)-N'-[3-(1H-imidazol-1-yl)propyl]urea
CID 2804810
1-(3-Chlorophenyl)-3-(3-imidazol-1-ylpropyl)urea
CID 2932800
N-(3-chlorophenyl)-N'-[2-(1H-imidazol-1-yl)phenyl]urea
CID 3696776
3-chloro-N-(1H-imidazol-2-ylmethyl)-N-propan-2-ylaniline
CID 24894367
3-chloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline
CID 24946962
3-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline
CID 24946964
(3,4-Dichlorophenyl)-2-cyano-3-(3-(5-methyl-1H-imidazol-1-yl)propyl)guanidine
CID 25055207
(E)-1-N'-(4-chlorophenyl)-1-N-(3-imidazol-1-ylpropyl)-2-nitroethene-1,1-diamine
CID 45483740
2-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline
CID 59728040

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-imidazol-1-ylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(3-chloro-2-imidazol-1-ylphenyl)-2-propan-2-ylpropane-1,3-diamine (CID 107441412) is N'-(3-chloro-2-imidazol-1-ylphenyl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-chloro-2-imidazol-1-ylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(3-chloro-2-imidazol-1-ylphenyl)-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)CNc1cccc(Cl)c1-n1ccnc1.
What is the InChIKey of N'-(3-chloro-2-imidazol-1-ylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is AEYJXDVLWZBTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-11(2)12(8-17)9-19-14-5-3-4-13(16)15(14)20-7-6-18-10-20/h3-7,10-12,19H,8-9,17H2,1-2H3.
What are the key properties of N'-(3-chloro-2-imidazol-1-ylphenyl)-2-propan-2-ylpropane-1,3-diamine?
N'-(3-chloro-2-imidazol-1-ylphenyl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 292.81 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2-imidazol-1-ylphenyl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107441412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).