1-(1H-benzimidazol-2-yl)-N-[(1-methylimidazol-4-yl)methyl]piperidin-3-amine

C17H22N6 — CID 167908009

IUPAC1-(1H-benzimidazol-2-yl)-N-[(1-methylimidazol-4-yl)methyl]piperidin-3-amine
SMILESCn1cnc(CNC2CCCN(c3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C17H22N6/c1-22-10-14(19-12-22)9-18-13-5-4-8-23(11-13)17-20-15-6-2-3-7-16(15)21-17/h2-3,6-7,10,12-13,18H,4-5,8-9,11H2,1H3,(H,20,21)
InChIKeyPYCLEJKIJWBBAN-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.06
Rot. Bonds4

About 1-(1H-benzimidazol-2-yl)-N-[(1-methylimidazol-4-yl)methyl]piperidin-3-amine

1-(1H-benzimidazol-2-yl)-N-[(1-methylimidazol-4-yl)methyl]piperidin-3-amine (PubChem CID 167908009) has the molecular formula C17H22N6 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-N-[(1-methylimidazol-4-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-N-[(1-methylimidazol-4-yl)methyl]piperidin-3-amine
PubChem CID167908009
Molecular FormulaC17H22N6
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC Name1-(1H-benzimidazol-2-yl)-N-[(1-methylimidazol-4-yl)methyl]piperidin-3-amine
SMILESCn1cnc(CNC2CCCN(c3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C17H22N6/c1-22-10-14(19-12-22)9-18-13-5-4-8-23(11-13)17-20-15-6-2-3-7-16(15)21-17/h2-3,6-7,10,12-13,18H,4-5,8-9,11H2,1H3,(H,20,21)
InChIKeyPYCLEJKIJWBBAN-UHFFFAOYSA-N
XLogP2.06
TPSA61.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1H-benzimidazol-2-yl)-N-[(1-methylimidazol-4-yl)methyl]piperidin-3-amine with MolForge

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Related Compounds

2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
3-[[1-(1H-benzimidazol-2-yl)piperidin-3-yl]amino]-2,2-dimethyl-3-oxopropanoic acid;2,2,2-trifluoroacetic acid
CID 167822464
2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole
CID 60978845
2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol
CID 99776526
3-[1-(1H-benzimidazol-2-yl)piperidin-3-yl]propanamide
CID 133410055
(3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92876805
(3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide
CID 92716066
(3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 92876810
2-[[1-(1H-benzimidazol-2-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814248
2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole
CID 133409902
1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol
CID 112627764
2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole
CID 10704647

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-N-[(1-methylimidazol-4-yl)methyl]piperidin-3-amine?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-N-[(1-methylimidazol-4-yl)methyl]piperidin-3-amine (CID 167908009) is 1-(1H-benzimidazol-2-yl)-N-[(1-methylimidazol-4-yl)methyl]piperidin-3-amine.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-N-[(1-methylimidazol-4-yl)methyl]piperidin-3-amine?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-N-[(1-methylimidazol-4-yl)methyl]piperidin-3-amine is Cn1cnc(CNC2CCCN(c3nc4ccccc4[nH]3)C2)c1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-N-[(1-methylimidazol-4-yl)methyl]piperidin-3-amine?
The InChIKey is PYCLEJKIJWBBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-22-10-14(19-12-22)9-18-13-5-4-8-23(11-13)17-20-15-6-2-3-7-16(15)21-17/h2-3,6-7,10,12-13,18H,4-5,8-9,11H2,1H3,(H,20,21).
What are the key properties of 1-(1H-benzimidazol-2-yl)-N-[(1-methylimidazol-4-yl)methyl]piperidin-3-amine?
1-(1H-benzimidazol-2-yl)-N-[(1-methylimidazol-4-yl)methyl]piperidin-3-amine has a molecular weight of 310.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-N-[(1-methylimidazol-4-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 167908009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).