1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylpropan-2-amine

C15H21N3 — CID 82497493

IUPAC1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylpropan-2-amine
SMILESCn1c(C2CC2)nc2cc(CC(C)(C)N)ccc21
InChIInChI=1S/C15H21N3/c1-15(2,16)9-10-4-7-13-12(8-10)17-14(18(13)3)11-5-6-11/h4,7-8,11H,5-6,9,16H2,1-3H3
InChIKeyNPLDKZJWUKOQJR-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.73
Rot. Bonds3

About 1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylpropan-2-amine

1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylpropan-2-amine (PubChem CID 82497493) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylpropan-2-amine
PubChem CID82497493
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylpropan-2-amine
SMILESCn1c(C2CC2)nc2cc(CC(C)(C)N)ccc21
InChIInChI=1S/C15H21N3/c1-15(2,16)9-10-4-7-13-12(8-10)17-14(18(13)3)11-5-6-11/h4,7-8,11H,5-6,9,16H2,1-3H3
InChIKeyNPLDKZJWUKOQJR-UHFFFAOYSA-N
XLogP2.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

O-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine
CID 117309592
(2-cyclooctyl-1-methylbenzimidazol-5-yl)methanamine
CID 65040386
4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one
CID 82497246
3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine
CID 96674760
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]pentanamide
CID 110786135
2-cyclopropyl-5-[(dimethylsulfamoylamino)methyl]-1-methylbenzimidazole
CID 110786179
2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-(2-methylpropyl)acetamide
CID 110773345
N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 110791866
1-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropan-2-amine
CID 82495604
4-(2-cyclopentyl-1-methylbenzimidazol-5-yl)butanenitrile
CID 82501811
5-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,2-oxazol-3-amine
CID 117389001
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]piperidine-1-sulfonamide
CID 100762191

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylpropan-2-amine (CID 82497493) is 1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylpropan-2-amine is Cn1c(C2CC2)nc2cc(CC(C)(C)N)ccc21.
What is the InChIKey of 1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylpropan-2-amine?
The InChIKey is NPLDKZJWUKOQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-15(2,16)9-10-4-7-13-12(8-10)17-14(18(13)3)11-5-6-11/h4,7-8,11H,5-6,9,16H2,1-3H3.
What are the key properties of 1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylpropan-2-amine?
1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylpropan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 82497493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).