1-methyl-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]piperidin-4-amine

C21H26N4 — CID 75383078

IUPAC1-methyl-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]piperidin-4-amine
SMILESCN1CCC(NC(c2ccccc2)c2nc3ccccc3n2C)CC1
InChIInChI=1S/C21H26N4/c1-24-14-12-17(13-15-24)22-20(16-8-4-3-5-9-16)21-23-18-10-6-7-11-19(18)25(21)2/h3-11,17,20,22H,12-15H2,1-2H3
InChIKeyGPGWKRKRRAYMLH-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.35
Rot. Bonds4

About 1-methyl-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]piperidin-4-amine

1-methyl-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]piperidin-4-amine (PubChem CID 75383078) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 1-methyl-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]piperidin-4-amine
PubChem CID75383078
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name1-methyl-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]piperidin-4-amine
SMILESCN1CCC(NC(c2ccccc2)c2nc3ccccc3n2C)CC1
InChIInChI=1S/C21H26N4/c1-24-14-12-17(13-15-24)22-20(16-8-4-3-5-9-16)21-23-18-10-6-7-11-19(18)25(21)2/h3-11,17,20,22H,12-15H2,1-2H3
InChIKeyGPGWKRKRRAYMLH-UHFFFAOYSA-N
XLogP3.35
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride
CID 134094585
N-methyl-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 3009976
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1,1-dioxothian-4-amine
CID 43614991
2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide
CID 52535851
1-methyl-N-[phenyl(thiophen-2-yl)methyl]piperidin-4-amine
CID 43224396
(1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine
CID 81351559
methyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate
CID 99613603
(1R)-N-(furan-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 95567515
2-methyl-N-[[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]sulfamoyl]propan-2-amine
CID 97352592
1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea
CID 86816785
N-[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-[(2R)-oxolan-2-yl]acetamide
CID 94821546
N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]thiadiazole-5-carboxamide
CID 95234713

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]piperidin-4-amine?
The IUPAC name of 1-methyl-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]piperidin-4-amine (CID 75383078) is 1-methyl-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]piperidin-4-amine?
The canonical SMILES for 1-methyl-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]piperidin-4-amine is CN1CCC(NC(c2ccccc2)c2nc3ccccc3n2C)CC1.
What is the InChIKey of 1-methyl-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]piperidin-4-amine?
The InChIKey is GPGWKRKRRAYMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-24-14-12-17(13-15-24)22-20(16-8-4-3-5-9-16)21-23-18-10-6-7-11-19(18)25(21)2/h3-11,17,20,22H,12-15H2,1-2H3.
What are the key properties of 1-methyl-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]piperidin-4-amine?
1-methyl-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]piperidin-4-amine has a molecular weight of 334.47 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]piperidin-4-amine is sourced from PubChem (CID 75383078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).