N,3-dimethyl-2-(1-methylbenzimidazol-5-yl)butan-1-amine

C14H21N3 — CID 116964360

IUPACN,3-dimethyl-2-(1-methylbenzimidazol-5-yl)butan-1-amine
SMILESCNCC(c1ccc2c(c1)ncn2C)C(C)C
InChIInChI=1S/C14H21N3/c1-10(2)12(8-15-3)11-5-6-14-13(7-11)16-9-17(14)4/h5-7,9-10,12,15H,8H2,1-4H3
InChIKeyWCQOSDUAOAHBLW-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.53
Rot. Bonds4

About N,3-dimethyl-2-(1-methylbenzimidazol-5-yl)butan-1-amine

N,3-dimethyl-2-(1-methylbenzimidazol-5-yl)butan-1-amine (PubChem CID 116964360) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N,3-dimethyl-2-(1-methylbenzimidazol-5-yl)butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-(1-methylbenzimidazol-5-yl)butan-1-amine
PubChem CID116964360
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN,3-dimethyl-2-(1-methylbenzimidazol-5-yl)butan-1-amine
SMILESCNCC(c1ccc2c(c1)ncn2C)C(C)C
InChIInChI=1S/C14H21N3/c1-10(2)12(8-15-3)11-5-6-14-13(7-11)16-9-17(14)4/h5-7,9-10,12,15H,8H2,1-4H3
InChIKeyWCQOSDUAOAHBLW-UHFFFAOYSA-N
XLogP2.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,3-dimethyl-2-(1-methylbenzimidazol-5-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(1-methylbenzimidazol-5-yl)ethanamine
CID 95992488
3-(methylamino)-1-(1-methylbenzimidazol-5-yl)propan-1-ol
CID 82493892
N,N'-dimethyl-1-(1-methylbenzimidazol-5-yl)butane-1,4-diamine
CID 116949485
N'-methyl-2-(1-methylbenzimidazol-5-yl)propanehydrazide
CID 116847070
2-(methylamino)-2-(1-methylbenzimidazol-5-yl)acetaldehyde
CID 116954228
2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propan-1-ol
CID 116957549
(3R)-3-hydroxy-3-(1-methylbenzimidazol-5-yl)propanoic acid
CID 95997414
methyl 3-(dimethylamino)-3-(1-methylbenzimidazol-5-yl)propanoate
CID 116910227
azetidin-3-yl-(1-methylbenzimidazol-5-yl)methanamine
CID 116935373
2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propanoic acid
CID 116957399
4-(1-methylbenzimidazol-5-yl)butan-2-amine
CID 82491785
2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid
CID 82396347

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-(1-methylbenzimidazol-5-yl)butan-1-amine?
The IUPAC name of N,3-dimethyl-2-(1-methylbenzimidazol-5-yl)butan-1-amine (CID 116964360) is N,3-dimethyl-2-(1-methylbenzimidazol-5-yl)butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-(1-methylbenzimidazol-5-yl)butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-(1-methylbenzimidazol-5-yl)butan-1-amine is CNCC(c1ccc2c(c1)ncn2C)C(C)C.
What is the InChIKey of N,3-dimethyl-2-(1-methylbenzimidazol-5-yl)butan-1-amine?
The InChIKey is WCQOSDUAOAHBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-10(2)12(8-15-3)11-5-6-14-13(7-11)16-9-17(14)4/h5-7,9-10,12,15H,8H2,1-4H3.
What are the key properties of N,3-dimethyl-2-(1-methylbenzimidazol-5-yl)butan-1-amine?
N,3-dimethyl-2-(1-methylbenzimidazol-5-yl)butan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-(1-methylbenzimidazol-5-yl)butan-1-amine is sourced from PubChem (CID 116964360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).