N-benzyl-1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine

C34H35FN4 — CID 12891645

IUPACN-benzyl-1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine
SMILESFc1ccc(Cn2c(N(Cc3ccccc3)C3CCN(CCc4ccccc4)CC3)nc3ccccc32)cc1
InChIInChI=1S/C34H35FN4/c35-30-17-15-29(16-18-30)26-39-33-14-8-7-13-32(33)36-34(39)38(25-28-11-5-2-6-12-28)31-20-23-37(24-21-31)22-19-27-9-3-1-4-10-27/h1-18,31H,19-26H2
InChIKeyKHPMFONMQZYCMG-UHFFFAOYSA-N
MW518.68 g/mol
LogP6.94
Rot. Bonds9

About N-benzyl-1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine

N-benzyl-1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine (PubChem CID 12891645) has the molecular formula C34H35FN4 and a molecular weight of 518.68 g/mol. Its IUPAC name is N-benzyl-1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine.

Molecular Properties

Compound NameN-benzyl-1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine
PubChem CID12891645
Molecular FormulaC34H35FN4
Molecular Weight518.68 g/mol
Exact Mass518.28
IUPAC NameN-benzyl-1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine
SMILESFc1ccc(Cn2c(N(Cc3ccccc3)C3CCN(CCc4ccccc4)CC3)nc3ccccc32)cc1
InChIInChI=1S/C34H35FN4/c35-30-17-15-29(16-18-30)26-39-33-14-8-7-13-32(33)36-34(39)38(25-28-11-5-2-6-12-28)31-20-23-37(24-21-31)22-19-27-9-3-1-4-10-27/h1-18,31H,19-26H2
InChIKeyKHPMFONMQZYCMG-UHFFFAOYSA-N
XLogP6.94
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.68
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine;hydrochloride
CID 45260440
1-[(4-fluorophenyl)methyl]-N,N-dimethylbenzimidazol-2-amine
CID 72702181
1-[(4-fluorophenyl)methyl]-N-[1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine;hydrochloride
CID 45260437
1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-prop-2-enoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine;hydrochloride
CID 45260504
2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanamine
CID 14518042
2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanol
CID 14013334
1-[(4-fluorophenyl)methyl]-2-[(3S)-1-methylpiperidin-3-yl]benzimidazole
CID 46888882
N-[1-(3-anilinopropyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 12891570
N-[1-(3-aminopropyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 12891742
1-[(4-fluorophenyl)methyl]-2-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]benzimidazol-5-ol
CID 14013151
1-[4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]phenyl]-3-methylsulfanylurea
CID 88609606
2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
CID 709541

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine?
The IUPAC name of N-benzyl-1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine (CID 12891645) is N-benzyl-1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine.
What is the SMILES notation for N-benzyl-1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine?
The canonical SMILES for N-benzyl-1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine is Fc1ccc(Cn2c(N(Cc3ccccc3)C3CCN(CCc4ccccc4)CC3)nc3ccccc32)cc1.
What is the InChIKey of N-benzyl-1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine?
The InChIKey is KHPMFONMQZYCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35FN4/c35-30-17-15-29(16-18-30)26-39-33-14-8-7-13-32(33)36-34(39)38(25-28-11-5-2-6-12-28)31-20-23-37(24-21-31)22-19-27-9-3-1-4-10-27/h1-18,31H,19-26H2.
What are the key properties of N-benzyl-1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine?
N-benzyl-1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine has a molecular weight of 518.68 g/mol, XLogP of 6.94, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine is sourced from PubChem (CID 12891645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).