4-N-[(1-propylbenzimidazol-2-yl)methyl]cyclohexane-1,4-diamine

C17H26N4 — CID 62319804

IUPAC4-N-[(1-propylbenzimidazol-2-yl)methyl]cyclohexane-1,4-diamine
SMILESCCCn1c(CNC2CCC(N)CC2)nc2ccccc21
InChIInChI=1S/C17H26N4/c1-2-11-21-16-6-4-3-5-15(16)20-17(21)12-19-14-9-7-13(18)8-10-14/h3-6,13-14,19H,2,7-12,18H2,1H3
InChIKeyHWMKGAODDAJUQF-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.81
Rot. Bonds5

About 4-N-[(1-propylbenzimidazol-2-yl)methyl]cyclohexane-1,4-diamine

4-N-[(1-propylbenzimidazol-2-yl)methyl]cyclohexane-1,4-diamine (PubChem CID 62319804) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-N-[(1-propylbenzimidazol-2-yl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(1-propylbenzimidazol-2-yl)methyl]cyclohexane-1,4-diamine
PubChem CID62319804
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name4-N-[(1-propylbenzimidazol-2-yl)methyl]cyclohexane-1,4-diamine
SMILESCCCn1c(CNC2CCC(N)CC2)nc2ccccc21
InChIInChI=1S/C17H26N4/c1-2-11-21-16-6-4-3-5-15(16)20-17(21)12-19-14-9-7-13(18)8-10-14/h3-6,13-14,19H,2,7-12,18H2,1H3
InChIKeyHWMKGAODDAJUQF-UHFFFAOYSA-N
XLogP2.81
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
CID 114544004
1-cyclopropyl-N-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-amine
CID 119137487
2,2,3,3-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopropan-1-amine
CID 79352406
N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 60835697
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 62378276
N-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine
CID 60665222
2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
CID 62088750
N-[3-(2-ethylbenzimidazol-1-yl)propyl]cyclopropanamine
CID 63106717
1-[(1-propylbenzimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 79753236
(1R,2S)-1-[(1-propylbenzimidazol-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 110929241
3-[(1-propylbenzimidazol-2-yl)methylamino]piperidin-2-one
CID 62093769
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-propylbenzimidazol-2-yl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(1-propylbenzimidazol-2-yl)methyl]cyclohexane-1,4-diamine (CID 62319804) is 4-N-[(1-propylbenzimidazol-2-yl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(1-propylbenzimidazol-2-yl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(1-propylbenzimidazol-2-yl)methyl]cyclohexane-1,4-diamine is CCCn1c(CNC2CCC(N)CC2)nc2ccccc21.
What is the InChIKey of 4-N-[(1-propylbenzimidazol-2-yl)methyl]cyclohexane-1,4-diamine?
The InChIKey is HWMKGAODDAJUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-2-11-21-16-6-4-3-5-15(16)20-17(21)12-19-14-9-7-13(18)8-10-14/h3-6,13-14,19H,2,7-12,18H2,1H3.
What are the key properties of 4-N-[(1-propylbenzimidazol-2-yl)methyl]cyclohexane-1,4-diamine?
4-N-[(1-propylbenzimidazol-2-yl)methyl]cyclohexane-1,4-diamine has a molecular weight of 286.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-propylbenzimidazol-2-yl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 62319804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).