1-methyl-N-(2-pyrrolidin-3-ylethyl)-4,5,6,7-tetrahydrobenzimidazol-2-amine

C14H24N4 — CID 115055130

IUPAC1-methyl-N-(2-pyrrolidin-3-ylethyl)-4,5,6,7-tetrahydrobenzimidazol-2-amine
SMILESCn1c(NCCC2CCNC2)nc2c1CCCC2
InChIInChI=1S/C14H24N4/c1-18-13-5-3-2-4-12(13)17-14(18)16-9-7-11-6-8-15-10-11/h11,15H,2-10H2,1H3,(H,16,17)
InChIKeyGTXQECGGQQMGRU-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.71
Rot. Bonds4

About 1-methyl-N-(2-pyrrolidin-3-ylethyl)-4,5,6,7-tetrahydrobenzimidazol-2-amine

1-methyl-N-(2-pyrrolidin-3-ylethyl)-4,5,6,7-tetrahydrobenzimidazol-2-amine (PubChem CID 115055130) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-methyl-N-(2-pyrrolidin-3-ylethyl)-4,5,6,7-tetrahydrobenzimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-(2-pyrrolidin-3-ylethyl)-4,5,6,7-tetrahydrobenzimidazol-2-amine
PubChem CID115055130
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-methyl-N-(2-pyrrolidin-3-ylethyl)-4,5,6,7-tetrahydrobenzimidazol-2-amine
SMILESCn1c(NCCC2CCNC2)nc2c1CCCC2
InChIInChI=1S/C14H24N4/c1-18-13-5-3-2-4-12(13)17-14(18)16-9-7-11-6-8-15-10-11/h11,15H,2-10H2,1H3,(H,16,17)
InChIKeyGTXQECGGQQMGRU-UHFFFAOYSA-N
XLogP1.71
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(2-pyrrolidin-3-ylethyl)tetrazol-5-amine
CID 63623261
N-(2-pyrrolidin-3-ylethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine
CID 115039096
1-tert-butyl-N-(2-pyrrolidin-3-ylethyl)imidazol-2-amine
CID 115041761
2-methyl-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine
CID 103542541
1-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-4,5-dihydroimidazol-2-amine
CID 115034739
3-ethyl-N-(2-pyrrolidin-3-ylethyl)-1,2,4-thiadiazol-5-amine
CID 65276112
N-(2-pyrrolidin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114401742
N-[2-[(3S)-pyrrolidin-3-yl]ethyl]propan-2-amine;hydrochloride
CID 71637413
5-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 63630057
N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 63629890
8-methyl-N-(2-pyrrolidin-3-ylethyl)isoquinolin-1-amine
CID 115054300
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-pyrrolidin-3-ylethyl)-4,5,6,7-tetrahydrobenzimidazol-2-amine?
The IUPAC name of 1-methyl-N-(2-pyrrolidin-3-ylethyl)-4,5,6,7-tetrahydrobenzimidazol-2-amine (CID 115055130) is 1-methyl-N-(2-pyrrolidin-3-ylethyl)-4,5,6,7-tetrahydrobenzimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-(2-pyrrolidin-3-ylethyl)-4,5,6,7-tetrahydrobenzimidazol-2-amine?
The canonical SMILES for 1-methyl-N-(2-pyrrolidin-3-ylethyl)-4,5,6,7-tetrahydrobenzimidazol-2-amine is Cn1c(NCCC2CCNC2)nc2c1CCCC2.
What is the InChIKey of 1-methyl-N-(2-pyrrolidin-3-ylethyl)-4,5,6,7-tetrahydrobenzimidazol-2-amine?
The InChIKey is GTXQECGGQQMGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-18-13-5-3-2-4-12(13)17-14(18)16-9-7-11-6-8-15-10-11/h11,15H,2-10H2,1H3,(H,16,17).
What are the key properties of 1-methyl-N-(2-pyrrolidin-3-ylethyl)-4,5,6,7-tetrahydrobenzimidazol-2-amine?
1-methyl-N-(2-pyrrolidin-3-ylethyl)-4,5,6,7-tetrahydrobenzimidazol-2-amine has a molecular weight of 248.37 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-pyrrolidin-3-ylethyl)-4,5,6,7-tetrahydrobenzimidazol-2-amine is sourced from PubChem (CID 115055130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).