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

C17H19N3 — CID 60835044

IUPACN-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
SMILESCC(C)n1c(CNc2ccccc2)nc2ccccc21
InChIInChI=1S/C17H19N3/c1-13(2)20-16-11-7-6-10-15(16)19-17(20)12-18-14-8-4-3-5-9-14/h3-11,13,18H,12H2,1-2H3
InChIKeyNUZOULWFXZJSIH-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.23
Rot. Bonds4

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

N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline (PubChem CID 60835044) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound NameN-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
PubChem CID60835044
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
SMILESCC(C)n1c(CNc2ccccc2)nc2ccccc21
InChIInChI=1S/C17H19N3/c1-13(2)20-16-11-7-6-10-15(16)19-17(20)12-18-14-8-4-3-5-9-14/h3-11,13,18H,12H2,1-2H3
InChIKeyNUZOULWFXZJSIH-UHFFFAOYSA-N
XLogP4.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]aniline
CID 60835042
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 751074
1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
CID 43171099
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 60834225
2-[(1-propan-2-ylbenzimidazol-2-yl)methoxy]acetic acid
CID 61329129
2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile
CID 55247145
N-methyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 43152019
[2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]phenyl]methanamine
CID 81312674
N,N-dimethyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 170866849
2,6-dimethyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrimidine-4-carboxamide
CID 131901796
2-methyl-3-[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]propanoic acid
CID 166237744
N-[[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]methyl]formamide
CID 7366362

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline?
The IUPAC name of N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline (CID 60835044) is N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline.
What is the SMILES notation for N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline?
The canonical SMILES for N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline is CC(C)n1c(CNc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline?
The InChIKey is NUZOULWFXZJSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-13(2)20-16-11-7-6-10-15(16)19-17(20)12-18-14-8-4-3-5-9-14/h3-11,13,18H,12H2,1-2H3.
What are the key properties of N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline?
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline has a molecular weight of 265.36 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 60835044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).