N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-propan-2-ylbenzimidazol-2-amine

C20H32N4 — CID 139719684

IUPACN-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-propan-2-ylbenzimidazol-2-amine
SMILESCC(C)n1c(NCCC2(N(C)C)CCCCC2)nc2ccccc21
InChIInChI=1S/C20H32N4/c1-16(2)24-18-11-7-6-10-17(18)22-19(24)21-15-14-20(23(3)4)12-8-5-9-13-20/h6-7,10-11,16H,5,8-9,12-15H2,1-4H3,(H,21,22)
InChIKeyLGEWXFRSFNLLFR-UHFFFAOYSA-N
MW328.50 g/mol
LogP4.68
Rot. Bonds6

About N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-propan-2-ylbenzimidazol-2-amine

N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-propan-2-ylbenzimidazol-2-amine (PubChem CID 139719684) has the molecular formula C20H32N4 and a molecular weight of 328.50 g/mol. Its IUPAC name is N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-propan-2-ylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-propan-2-ylbenzimidazol-2-amine
PubChem CID139719684
Molecular FormulaC20H32N4
Molecular Weight328.50 g/mol
Exact Mass328.26
IUPAC NameN-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-propan-2-ylbenzimidazol-2-amine
SMILESCC(C)n1c(NCCC2(N(C)C)CCCCC2)nc2ccccc21
InChIInChI=1S/C20H32N4/c1-16(2)24-18-11-7-6-10-17(18)22-19(24)21-15-14-20(23(3)4)12-8-5-9-13-20/h6-7,10-11,16H,5,8-9,12-15H2,1-4H3,(H,21,22)
InChIKeyLGEWXFRSFNLLFR-UHFFFAOYSA-N
XLogP4.68
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine
CID 61292527
N-(anthracen-9-ylmethyl)-1-propan-2-ylbenzimidazol-2-amine
CID 3629415
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 60834225
N-methyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 43152019
[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
CID 81161158
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]aniline
CID 60835042
2-fluoro-1-propan-2-ylbenzimidazole
CID 141105255
(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 25315233
1-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole
CID 10105231
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 60835044
(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;hydrochloride
CID 133143586
N,N-dimethyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 170866849

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-propan-2-ylbenzimidazol-2-amine?
The IUPAC name of N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-propan-2-ylbenzimidazol-2-amine (CID 139719684) is N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-propan-2-ylbenzimidazol-2-amine.
What is the SMILES notation for N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-propan-2-ylbenzimidazol-2-amine?
The canonical SMILES for N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-propan-2-ylbenzimidazol-2-amine is CC(C)n1c(NCCC2(N(C)C)CCCCC2)nc2ccccc21.
What is the InChIKey of N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-propan-2-ylbenzimidazol-2-amine?
The InChIKey is LGEWXFRSFNLLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4/c1-16(2)24-18-11-7-6-10-17(18)22-19(24)21-15-14-20(23(3)4)12-8-5-9-13-20/h6-7,10-11,16H,5,8-9,12-15H2,1-4H3,(H,21,22).
What are the key properties of N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-propan-2-ylbenzimidazol-2-amine?
N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-propan-2-ylbenzimidazol-2-amine has a molecular weight of 328.50 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-propan-2-ylbenzimidazol-2-amine is sourced from PubChem (CID 139719684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).