[2-(1-cyclopropylethyl)-1-propylbenzimidazol-5-yl]methanamine

C16H23N3 — CID 83149878

IUPAC[2-(1-cyclopropylethyl)-1-propylbenzimidazol-5-yl]methanamine
SMILESCCCn1c(C(C)C2CC2)nc2cc(CN)ccc21
InChIInChI=1S/C16H23N3/c1-3-8-19-15-7-4-12(10-17)9-14(15)18-16(19)11(2)13-5-6-13/h4,7,9,11,13H,3,5-6,8,10,17H2,1-2H3
InChIKeyGHNYTMLYJGKRDQ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.42
Rot. Bonds5

About [2-(1-cyclopropylethyl)-1-propylbenzimidazol-5-yl]methanamine

[2-(1-cyclopropylethyl)-1-propylbenzimidazol-5-yl]methanamine (PubChem CID 83149878) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is [2-(1-cyclopropylethyl)-1-propylbenzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-cyclopropylethyl)-1-propylbenzimidazol-5-yl]methanamine
PubChem CID83149878
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name[2-(1-cyclopropylethyl)-1-propylbenzimidazol-5-yl]methanamine
SMILESCCCn1c(C(C)C2CC2)nc2cc(CN)ccc21
InChIInChI=1S/C16H23N3/c1-3-8-19-15-7-4-12(10-17)9-14(15)18-16(19)11(2)13-5-6-13/h4,7,9,11,13H,3,5-6,8,10,17H2,1-2H3
InChIKeyGHNYTMLYJGKRDQ-UHFFFAOYSA-N
XLogP3.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-heptan-4-yl-1-propylbenzimidazol-5-yl)methanamine
CID 82990601
[1-ethyl-2-(3-methylbutan-2-yl)benzimidazol-5-yl]methanamine
CID 65038202
(2-heptan-4-yl-1-methylbenzimidazol-5-yl)methanamine
CID 82987206
1-[5-(aminomethyl)-1-methylbenzimidazol-2-yl]ethanol
CID 65040057
[1-propyl-2-(thiolan-2-yl)benzimidazol-5-yl]methanamine
CID 65038222
1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82333614
[2-(3-methylbutan-2-yl)-1-(2-methylpropyl)benzimidazol-5-yl]methanamine
CID 65037716
[2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine
CID 65037745
2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820
(1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine
CID 65038224
(2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine
CID 65037847
4-[5-(aminomethyl)-1-propylbenzimidazol-2-yl]butan-1-ol
CID 79199391

Frequently Asked Questions

What is the IUPAC name of [2-(1-cyclopropylethyl)-1-propylbenzimidazol-5-yl]methanamine?
The IUPAC name of [2-(1-cyclopropylethyl)-1-propylbenzimidazol-5-yl]methanamine (CID 83149878) is [2-(1-cyclopropylethyl)-1-propylbenzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(1-cyclopropylethyl)-1-propylbenzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(1-cyclopropylethyl)-1-propylbenzimidazol-5-yl]methanamine is CCCn1c(C(C)C2CC2)nc2cc(CN)ccc21.
What is the InChIKey of [2-(1-cyclopropylethyl)-1-propylbenzimidazol-5-yl]methanamine?
The InChIKey is GHNYTMLYJGKRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-8-19-15-7-4-12(10-17)9-14(15)18-16(19)11(2)13-5-6-13/h4,7,9,11,13H,3,5-6,8,10,17H2,1-2H3.
What are the key properties of [2-(1-cyclopropylethyl)-1-propylbenzimidazol-5-yl]methanamine?
[2-(1-cyclopropylethyl)-1-propylbenzimidazol-5-yl]methanamine has a molecular weight of 257.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-cyclopropylethyl)-1-propylbenzimidazol-5-yl]methanamine is sourced from PubChem (CID 83149878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).