(1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine

C16H18N4 — CID 65038224

IUPAC(1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine
SMILESCCCn1c(-c2ccncc2)nc2cc(CN)ccc21
InChIInChI=1S/C16H18N4/c1-2-9-20-15-4-3-12(11-17)10-14(15)19-16(20)13-5-7-18-8-6-13/h3-8,10H,2,9,11,17H2,1H3
InChIKeyLRQXVWABIDAPGD-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.97
Rot. Bonds4

About (1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine

(1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine (PubChem CID 65038224) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is (1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine.

Molecular Properties

Compound Name(1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine
PubChem CID65038224
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name(1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine
SMILESCCCn1c(-c2ccncc2)nc2cc(CN)ccc21
InChIInChI=1S/C16H18N4/c1-2-9-20-15-4-3-12(11-17)10-14(15)19-16(20)13-5-7-18-8-6-13/h3-8,10H,2,9,11,17H2,1H3
InChIKeyLRQXVWABIDAPGD-UHFFFAOYSA-N
XLogP2.97
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-bromo-1-propylbenzimidazol-2-yl)phenyl]methanamine
CID 60785381
[4-(1-butyl-5-methylbenzimidazol-2-yl)phenyl]methanamine
CID 82333100
[2-(4,5-dibromothiophen-2-yl)-1-propylbenzimidazol-5-yl]methanamine
CID 80537091
[2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine
CID 65037745
(2-heptan-4-yl-1-propylbenzimidazol-5-yl)methanamine
CID 82990601
5-methyl-2-phenyl-1-propylbenzimidazole
CID 72721451
(1-tert-butyl-2-pyridazin-4-ylbenzimidazol-5-yl)methanamine
CID 104672949
2-(4-methylphenyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040444
1-ethyl-2-pyridin-4-ylbenzimidazole-5-carbonitrile
CID 65034992
4-[5-(aminomethyl)-1-propylbenzimidazol-2-yl]butan-1-ol
CID 79199391
[2-(1-cyclopropylethyl)-1-propylbenzimidazol-5-yl]methanamine
CID 83149878
2-(2-methyl-4-pyridinyl)-1-propylbenzimidazole-5-carbonitrile
CID 106754381

Frequently Asked Questions

What is the IUPAC name of (1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine?
The IUPAC name of (1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine (CID 65038224) is (1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine.
What is the SMILES notation for (1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine?
The canonical SMILES for (1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine is CCCn1c(-c2ccncc2)nc2cc(CN)ccc21.
What is the InChIKey of (1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine?
The InChIKey is LRQXVWABIDAPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-9-20-15-4-3-12(11-17)10-14(15)19-16(20)13-5-7-18-8-6-13/h3-8,10H,2,9,11,17H2,1H3.
What are the key properties of (1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine?
(1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine has a molecular weight of 266.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine is sourced from PubChem (CID 65038224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).