N,1-dimethyl-N-pyrrolidin-3-ylbenzimidazol-5-amine

C13H18N4 — CID 115118759

IUPACN,1-dimethyl-N-pyrrolidin-3-ylbenzimidazol-5-amine
SMILESCN(c1ccc2c(c1)ncn2C)C1CCNC1
InChIInChI=1S/C13H18N4/c1-16-9-15-12-7-10(3-4-13(12)16)17(2)11-5-6-14-8-11/h3-4,7,9,11,14H,5-6,8H2,1-2H3
InChIKeyAKKHEGHCTPBXTE-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.37
Rot. Bonds2

About N,1-dimethyl-N-pyrrolidin-3-ylbenzimidazol-5-amine

N,1-dimethyl-N-pyrrolidin-3-ylbenzimidazol-5-amine (PubChem CID 115118759) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N,1-dimethyl-N-pyrrolidin-3-ylbenzimidazol-5-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-pyrrolidin-3-ylbenzimidazol-5-amine
PubChem CID115118759
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN,1-dimethyl-N-pyrrolidin-3-ylbenzimidazol-5-amine
SMILESCN(c1ccc2c(c1)ncn2C)C1CCNC1
InChIInChI=1S/C13H18N4/c1-16-9-15-12-7-10(3-4-13(12)16)17(2)11-5-6-14-8-11/h3-4,7,9,11,14H,5-6,8H2,1-2H3
InChIKeyAKKHEGHCTPBXTE-UHFFFAOYSA-N
XLogP1.37
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-methyl-4-N-(1-methylbenzimidazol-5-yl)cyclohexane-1,4-diamine
CID 115149791
N,1-dimethyl-N-(morpholin-2-ylmethyl)benzimidazol-5-amine
CID 115237579
5-[difluoro(pyrrolidin-3-yl)methyl]-1-methylbenzimidazole
CID 116839115
(1-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone
CID 82341526
1-methyl-5-piperidin-4-yloxybenzimidazole
CID 84694843
6-methyl-4,6,12-triazatetracyclo[7.5.0.03,7.010,14]tetradeca-1,3(7),4,8-tetraene
CID 68645865
N-[4-(4-bromoimidazol-1-yl)phenyl]-N-methylpyrrolidin-3-amine
CID 171101333
N-methyl-N-(1-methylbenzimidazol-5-yl)oxolane-2-carboxamide
CID 110869282
(1-methylbenzimidazol-5-yl)-morpholin-2-ylmethanamine
CID 116941045
N,4-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71640984
N-methyl-N-(1-methylbenzimidazol-5-yl)ethanesulfonamide
CID 110869331
1-cyclopropyl-N-methyl-N-pyrrolidin-3-ylimidazol-2-amine
CID 106552551

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-pyrrolidin-3-ylbenzimidazol-5-amine?
The IUPAC name of N,1-dimethyl-N-pyrrolidin-3-ylbenzimidazol-5-amine (CID 115118759) is N,1-dimethyl-N-pyrrolidin-3-ylbenzimidazol-5-amine.
What is the SMILES notation for N,1-dimethyl-N-pyrrolidin-3-ylbenzimidazol-5-amine?
The canonical SMILES for N,1-dimethyl-N-pyrrolidin-3-ylbenzimidazol-5-amine is CN(c1ccc2c(c1)ncn2C)C1CCNC1.
What is the InChIKey of N,1-dimethyl-N-pyrrolidin-3-ylbenzimidazol-5-amine?
The InChIKey is AKKHEGHCTPBXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-16-9-15-12-7-10(3-4-13(12)16)17(2)11-5-6-14-8-11/h3-4,7,9,11,14H,5-6,8H2,1-2H3.
What are the key properties of N,1-dimethyl-N-pyrrolidin-3-ylbenzimidazol-5-amine?
N,1-dimethyl-N-pyrrolidin-3-ylbenzimidazol-5-amine has a molecular weight of 230.31 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-pyrrolidin-3-ylbenzimidazol-5-amine is sourced from PubChem (CID 115118759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).