4,4-dimethyl-N-[[3-(3-methylbenzimidazol-5-yl)phenyl]methyl]cyclohexan-1-amine

C23H29N3 — CID 59474712

IUPAC4,4-dimethyl-N-[[3-(3-methylbenzimidazol-5-yl)phenyl]methyl]cyclohexan-1-amine
SMILESCn1cnc2ccc(-c3cccc(CNC4CCC(C)(C)CC4)c3)cc21
InChIInChI=1S/C23H29N3/c1-23(2)11-9-20(10-12-23)24-15-17-5-4-6-18(13-17)19-7-8-21-22(14-19)26(3)16-25-21/h4-8,13-14,16,20,24H,9-12,15H2,1-3H3
InChIKeyPBCQHYLDGVNMKR-UHFFFAOYSA-N
MW347.51 g/mol
LogP5.30
Rot. Bonds4

About 4,4-dimethyl-N-[[3-(3-methylbenzimidazol-5-yl)phenyl]methyl]cyclohexan-1-amine

4,4-dimethyl-N-[[3-(3-methylbenzimidazol-5-yl)phenyl]methyl]cyclohexan-1-amine (PubChem CID 59474712) has the molecular formula C23H29N3 and a molecular weight of 347.51 g/mol. Its IUPAC name is 4,4-dimethyl-N-[[3-(3-methylbenzimidazol-5-yl)phenyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-[[3-(3-methylbenzimidazol-5-yl)phenyl]methyl]cyclohexan-1-amine
PubChem CID59474712
Molecular FormulaC23H29N3
Molecular Weight347.51 g/mol
Exact Mass347.24
IUPAC Name4,4-dimethyl-N-[[3-(3-methylbenzimidazol-5-yl)phenyl]methyl]cyclohexan-1-amine
SMILESCn1cnc2ccc(-c3cccc(CNC4CCC(C)(C)CC4)c3)cc21
InChIInChI=1S/C23H29N3/c1-23(2)11-9-20(10-12-23)24-15-17-5-4-6-18(13-17)19-7-8-21-22(14-19)26(3)16-25-21/h4-8,13-14,16,20,24H,9-12,15H2,1-3H3
InChIKeyPBCQHYLDGVNMKR-UHFFFAOYSA-N
XLogP5.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.51
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-N-[[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]cyclohexan-1-amine
CID 58276644
1-methyl-6-phenylbenzimidazole
CID 135028518
5,5-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidin-3-amine
CID 115145923
N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 54912714
N-[[3-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine
CID 63975192
6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole
CID 90095898
N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]cyclopropanamine
CID 61034448
N-[[3-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 61239688
N-[[3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine
CID 141194678
[(E)-[[amino-[4-[3-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]phenyl]methylidene]amino]methylideneamino]methyl 2,2-dimethylpropanoate
CID 143629529
N-[3-(benzimidazol-1-yl)propyl]-3,3-dimethylcyclopentan-1-amine
CID 80693050
N-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65082764

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[[3-(3-methylbenzimidazol-5-yl)phenyl]methyl]cyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-N-[[3-(3-methylbenzimidazol-5-yl)phenyl]methyl]cyclohexan-1-amine (CID 59474712) is 4,4-dimethyl-N-[[3-(3-methylbenzimidazol-5-yl)phenyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-[[3-(3-methylbenzimidazol-5-yl)phenyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-[[3-(3-methylbenzimidazol-5-yl)phenyl]methyl]cyclohexan-1-amine is Cn1cnc2ccc(-c3cccc(CNC4CCC(C)(C)CC4)c3)cc21.
What is the InChIKey of 4,4-dimethyl-N-[[3-(3-methylbenzimidazol-5-yl)phenyl]methyl]cyclohexan-1-amine?
The InChIKey is PBCQHYLDGVNMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3/c1-23(2)11-9-20(10-12-23)24-15-17-5-4-6-18(13-17)19-7-8-21-22(14-19)26(3)16-25-21/h4-8,13-14,16,20,24H,9-12,15H2,1-3H3.
What are the key properties of 4,4-dimethyl-N-[[3-(3-methylbenzimidazol-5-yl)phenyl]methyl]cyclohexan-1-amine?
4,4-dimethyl-N-[[3-(3-methylbenzimidazol-5-yl)phenyl]methyl]cyclohexan-1-amine has a molecular weight of 347.51 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[[3-(3-methylbenzimidazol-5-yl)phenyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 59474712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).