1-cyclopropyl-N-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-amine

C19H28N4 — CID 119137487

IUPAC1-cyclopropyl-N-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-amine
SMILESCCCn1c(CNC2CCN(C3CC3)CC2)nc2ccccc21
InChIInChI=1S/C19H28N4/c1-2-11-23-18-6-4-3-5-17(18)21-19(23)14-20-15-9-12-22(13-10-15)16-7-8-16/h3-6,15-16,20H,2,7-14H2,1H3
InChIKeyILFKXVNYJUMTPC-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.16
Rot. Bonds6

About 1-cyclopropyl-N-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-amine

1-cyclopropyl-N-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-amine (PubChem CID 119137487) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-amine
PubChem CID119137487
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name1-cyclopropyl-N-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-amine
SMILESCCCn1c(CNC2CCN(C3CC3)CC2)nc2ccccc21
InChIInChI=1S/C19H28N4/c1-2-11-23-18-6-4-3-5-17(18)21-19(23)14-20-15-9-12-22(13-10-15)16-7-8-16/h3-6,15-16,20H,2,7-14H2,1H3
InChIKeyILFKXVNYJUMTPC-UHFFFAOYSA-N
XLogP3.16
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(1-propylbenzimidazol-2-yl)methyl]cyclohexane-1,4-diamine
CID 62319804
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
CID 114544004
2,2,3,3-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopropan-1-amine
CID 79352406
1-(2,2-difluoroethyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-4-amine
CID 71935215
2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
CID 62088750
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 62378276
N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 60835697
(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
N-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine
CID 60665222
N-[2-(2-propylbenzimidazol-1-yl)ethyl]cyclopentanamine
CID 115971115

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-cyclopropyl-N-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-amine (CID 119137487) is 1-cyclopropyl-N-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-cyclopropyl-N-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-amine is CCCn1c(CNC2CCN(C3CC3)CC2)nc2ccccc21.
What is the InChIKey of 1-cyclopropyl-N-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-amine?
The InChIKey is ILFKXVNYJUMTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-2-11-23-18-6-4-3-5-17(18)21-19(23)14-20-15-9-12-22(13-10-15)16-7-8-16/h3-6,15-16,20H,2,7-14H2,1H3.
What are the key properties of 1-cyclopropyl-N-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-amine?
1-cyclopropyl-N-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-amine has a molecular weight of 312.46 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 119137487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).