N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]ethanamine

C13H19N3 — CID 82493458

IUPACN-[(1-propan-2-ylbenzimidazol-5-yl)methyl]ethanamine
SMILESCCNCc1ccc2c(c1)ncn2C(C)C
InChIInChI=1S/C13H19N3/c1-4-14-8-11-5-6-13-12(7-11)15-9-16(13)10(2)3/h5-7,9-10,14H,4,8H2,1-3H3
InChIKeyDGAINFCCJHUUQO-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.73
Rot. Bonds4

About N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]ethanamine

N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]ethanamine (PubChem CID 82493458) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-propan-2-ylbenzimidazol-5-yl)methyl]ethanamine
PubChem CID82493458
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-[(1-propan-2-ylbenzimidazol-5-yl)methyl]ethanamine
SMILESCCNCc1ccc2c(c1)ncn2C(C)C
InChIInChI=1S/C13H19N3/c1-4-14-8-11-5-6-13-12(7-11)15-9-16(13)10(2)3/h5-7,9-10,14H,4,8H2,1-3H3
InChIKeyDGAINFCCJHUUQO-UHFFFAOYSA-N
XLogP2.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-propan-2-ylbenzimidazol-5-yl)methanol
CID 68642679
2-acetamido-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 50844366
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785932
2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 50844785
1-phenyl-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]methanesulfonamide
CID 110785938
N-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773039
N-pentyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773064
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide
CID 50844462
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110785908
2,2-dimethyl-N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]propanamide
CID 110791708
2-(2-methylphenoxy)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 110785922
5-oxo-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 110794754

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]ethanamine (CID 82493458) is N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]ethanamine is CCNCc1ccc2c(c1)ncn2C(C)C.
What is the InChIKey of N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]ethanamine?
The InChIKey is DGAINFCCJHUUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-4-14-8-11-5-6-13-12(7-11)15-9-16(13)10(2)3/h5-7,9-10,14H,4,8H2,1-3H3.
What are the key properties of N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]ethanamine?
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]ethanamine has a molecular weight of 217.32 g/mol, XLogP of 2.73, 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-5-yl)methyl]ethanamine is sourced from PubChem (CID 82493458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).