N-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine

C14H21N3 — CID 112632401

IUPACN-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
SMILESCCCc1nc2ccccc2n1C(C)CNC
InChIInChI=1S/C14H21N3/c1-4-7-14-16-12-8-5-6-9-13(12)17(14)11(2)10-15-3/h5-6,8-9,11,15H,4,7,10H2,1-3H3
InChIKeyJFXBBGMKPUTGSH-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.77
Rot. Bonds5

About N-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine

N-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine (PubChem CID 112632401) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
PubChem CID112632401
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
SMILESCCCc1nc2ccccc2n1C(C)CNC
InChIInChI=1S/C14H21N3/c1-4-7-14-16-12-8-5-6-9-13(12)17(14)11(2)10-15-3/h5-6,8-9,11,15H,4,7,10H2,1-3H3
InChIKeyJFXBBGMKPUTGSH-UHFFFAOYSA-N
XLogP2.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632434
2-(2-butylbenzimidazol-1-yl)propan-1-amine
CID 82144544
(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
CID 7424145
2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine
CID 51970586
N-methyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 43152019
2-(2-methylbenzimidazol-1-yl)-N-propylpropan-1-amine
CID 62563525
3,3-dimethyl-2-(2-propylbenzimidazol-1-yl)butan-1-amine
CID 112632091
2-(5-methylthiophen-2-yl)-2-(2-propylbenzimidazol-1-yl)ethanamine
CID 115970610
N,2-dimethyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79751254
2-(3-methylthiophen-2-yl)-2-(2-propylbenzimidazol-1-yl)ethanamine
CID 115970638
2-methyl-N-[3-(2-propylbenzimidazol-1-yl)propyl]propan-1-amine
CID 115970737
N'-hydroxy-3-(2-propylbenzimidazol-1-yl)pentanimidamide
CID 115970772

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine?
The IUPAC name of N-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine (CID 112632401) is N-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine.
What is the SMILES notation for N-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine?
The canonical SMILES for N-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine is CCCc1nc2ccccc2n1C(C)CNC.
What is the InChIKey of N-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine?
The InChIKey is JFXBBGMKPUTGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-7-14-16-12-8-5-6-9-13(12)17(14)11(2)10-15-3/h5-6,8-9,11,15H,4,7,10H2,1-3H3.
What are the key properties of N-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine?
N-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 112632401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).