(2-heptan-4-yl-1-propylbenzimidazol-5-yl)methanamine

C18H29N3 — CID 82990601

IUPAC(2-heptan-4-yl-1-propylbenzimidazol-5-yl)methanamine
SMILESCCCC(CCC)c1nc2cc(CN)ccc2n1CCC
InChIInChI=1S/C18H29N3/c1-4-7-15(8-5-2)18-20-16-12-14(13-19)9-10-17(16)21(18)11-6-3/h9-10,12,15H,4-8,11,13,19H2,1-3H3
InChIKeyPJAPMCNSPAAYRV-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.59
Rot. Bonds8

About (2-heptan-4-yl-1-propylbenzimidazol-5-yl)methanamine

(2-heptan-4-yl-1-propylbenzimidazol-5-yl)methanamine (PubChem CID 82990601) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is (2-heptan-4-yl-1-propylbenzimidazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-heptan-4-yl-1-propylbenzimidazol-5-yl)methanamine
PubChem CID82990601
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name(2-heptan-4-yl-1-propylbenzimidazol-5-yl)methanamine
SMILESCCCC(CCC)c1nc2cc(CN)ccc2n1CCC
InChIInChI=1S/C18H29N3/c1-4-7-15(8-5-2)18-20-16-12-14(13-19)9-10-17(16)21(18)11-6-3/h9-10,12,15H,4-8,11,13,19H2,1-3H3
InChIKeyPJAPMCNSPAAYRV-UHFFFAOYSA-N
XLogP4.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-heptan-4-yl-1-methylbenzimidazol-5-yl)methanamine
CID 82987206
[2-(1-cyclopropylethyl)-1-propylbenzimidazol-5-yl]methanamine
CID 83149878
1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82333614
[2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine
CID 65037745
(2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine
CID 65037847
2-(5-methyl-1-propylbenzimidazol-2-yl)butan-1-amine
CID 65221305
[1-ethyl-2-(3-methylbutan-2-yl)benzimidazol-5-yl]methanamine
CID 65038202
(1-tert-butyl-2-pentan-2-ylbenzimidazol-5-yl)methanamine
CID 65037779
(1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine
CID 65038224
4-[5-(aminomethyl)-1-propylbenzimidazol-2-yl]butan-1-ol
CID 79199391
2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820
1-[5-(aminomethyl)-1-methylbenzimidazol-2-yl]ethanol
CID 65040057

Frequently Asked Questions

What is the IUPAC name of (2-heptan-4-yl-1-propylbenzimidazol-5-yl)methanamine?
The IUPAC name of (2-heptan-4-yl-1-propylbenzimidazol-5-yl)methanamine (CID 82990601) is (2-heptan-4-yl-1-propylbenzimidazol-5-yl)methanamine.
What is the SMILES notation for (2-heptan-4-yl-1-propylbenzimidazol-5-yl)methanamine?
The canonical SMILES for (2-heptan-4-yl-1-propylbenzimidazol-5-yl)methanamine is CCCC(CCC)c1nc2cc(CN)ccc2n1CCC.
What is the InChIKey of (2-heptan-4-yl-1-propylbenzimidazol-5-yl)methanamine?
The InChIKey is PJAPMCNSPAAYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-4-7-15(8-5-2)18-20-16-12-14(13-19)9-10-17(16)21(18)11-6-3/h9-10,12,15H,4-8,11,13,19H2,1-3H3.
What are the key properties of (2-heptan-4-yl-1-propylbenzimidazol-5-yl)methanamine?
(2-heptan-4-yl-1-propylbenzimidazol-5-yl)methanamine has a molecular weight of 287.45 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-heptan-4-yl-1-propylbenzimidazol-5-yl)methanamine is sourced from PubChem (CID 82990601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).