1-[(1-propylbenzimidazol-2-yl)methyl]pyrrolidin-3-amine

C15H22N4 — CID 79753236

IUPAC1-[(1-propylbenzimidazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCCCn1c(CN2CCC(N)C2)nc2ccccc21
InChIInChI=1S/C15H22N4/c1-2-8-19-14-6-4-3-5-13(14)17-15(19)11-18-9-7-12(16)10-18/h3-6,12H,2,7-11,16H2,1H3
InChIKeyBVVUHWFNBHMSHC-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.98
Rot. Bonds4

About 1-[(1-propylbenzimidazol-2-yl)methyl]pyrrolidin-3-amine

1-[(1-propylbenzimidazol-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 79753236) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-[(1-propylbenzimidazol-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(1-propylbenzimidazol-2-yl)methyl]pyrrolidin-3-amine
PubChem CID79753236
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-[(1-propylbenzimidazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCCCn1c(CN2CCC(N)C2)nc2ccccc21
InChIInChI=1S/C15H22N4/c1-2-8-19-14-6-4-3-5-13(14)17-15(19)11-18-9-7-12(16)10-18/h3-6,12H,2,7-11,16H2,1H3
InChIKeyBVVUHWFNBHMSHC-UHFFFAOYSA-N
XLogP1.98
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole
CID 6491176
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole
CID 2985021
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole;hydrochloride
CID 171151742
4-N-[(1-propylbenzimidazol-2-yl)methyl]cyclohexane-1,4-diamine
CID 62319804
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
ethyl 1-[(1-butylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate
CID 134084299
1-cyclopropyl-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79754023
2-[[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-1-propylbenzimidazole
CID 95792196
2-[2-[(3,5-dimethylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanamine
CID 82310578
1-ethyl-2-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]benzimidazole
CID 45204631
4-[6-[(1-propylbenzimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24913143
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951

Frequently Asked Questions

What is the IUPAC name of 1-[(1-propylbenzimidazol-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-[(1-propylbenzimidazol-2-yl)methyl]pyrrolidin-3-amine (CID 79753236) is 1-[(1-propylbenzimidazol-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[(1-propylbenzimidazol-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[(1-propylbenzimidazol-2-yl)methyl]pyrrolidin-3-amine is CCCn1c(CN2CCC(N)C2)nc2ccccc21.
What is the InChIKey of 1-[(1-propylbenzimidazol-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is BVVUHWFNBHMSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-2-8-19-14-6-4-3-5-13(14)17-15(19)11-18-9-7-12(16)10-18/h3-6,12H,2,7-11,16H2,1H3.
What are the key properties of 1-[(1-propylbenzimidazol-2-yl)methyl]pyrrolidin-3-amine?
1-[(1-propylbenzimidazol-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 258.37 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propylbenzimidazol-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 79753236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).