N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]aniline

C18H21N3 — CID 60835042

IUPACN-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]aniline
SMILESCC(C)n1c(CCNc2ccccc2)nc2ccccc21
InChIInChI=1S/C18H21N3/c1-14(2)21-17-11-7-6-10-16(17)20-18(21)12-13-19-15-8-4-3-5-9-15/h3-11,14,19H,12-13H2,1-2H3
InChIKeyNDUNOFZALGDUBH-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.27
Rot. Bonds5

About N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]aniline

N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]aniline (PubChem CID 60835042) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]aniline
PubChem CID60835042
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]aniline
SMILESCC(C)n1c(CCNc2ccccc2)nc2ccccc21
InChIInChI=1S/C18H21N3/c1-14(2)21-17-11-7-6-10-16(17)20-18(21)12-13-19-15-8-4-3-5-9-15/h3-11,14,19H,12-13H2,1-2H3
InChIKeyNDUNOFZALGDUBH-UHFFFAOYSA-N
XLogP4.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 60835044
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
N,N-dimethyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 170866849
1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
CID 43171099
(3S)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-3-pyrrol-1-ylbutanamide
CID 95773068
2-[(1-propan-2-ylbenzimidazol-2-yl)methoxy]acetic acid
CID 61329129
2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile
CID 55247145
3-methyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]benzamide
CID 4106595
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 751074
2-fluoro-1-propan-2-ylbenzimidazole
CID 141105255
2-phenyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 71709673

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]aniline?
The IUPAC name of N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]aniline (CID 60835042) is N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]aniline.
What is the SMILES notation for N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]aniline?
The canonical SMILES for N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]aniline is CC(C)n1c(CCNc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]aniline?
The InChIKey is NDUNOFZALGDUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-14(2)21-17-11-7-6-10-16(17)20-18(21)12-13-19-15-8-4-3-5-9-15/h3-11,14,19H,12-13H2,1-2H3.
What are the key properties of N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]aniline?
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]aniline has a molecular weight of 279.39 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]aniline is sourced from PubChem (CID 60835042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).