1,5-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine

C16H24N4 — CID 81302349

IUPAC1,5-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine
SMILESCc1nc2ccccc2n1CCNC1CC(C)N(C)C1
InChIInChI=1S/C16H24N4/c1-12-10-14(11-19(12)3)17-8-9-20-13(2)18-15-6-4-5-7-16(15)20/h4-7,12,14,17H,8-11H2,1-3H3
InChIKeyRJZNNTZTAGASRO-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.03
Rot. Bonds4

About 1,5-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine

1,5-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine (PubChem CID 81302349) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1,5-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine
PubChem CID81302349
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1,5-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine
SMILESCc1nc2ccccc2n1CCNC1CC(C)N(C)C1
InChIInChI=1S/C16H24N4/c1-12-10-14(11-19(12)3)17-8-9-20-13(2)18-15-6-4-5-7-16(15)20/h4-7,12,14,17H,8-11H2,1-3H3
InChIKeyRJZNNTZTAGASRO-UHFFFAOYSA-N
XLogP2.03
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine
CID 28712904
N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-4-amine
CID 43394941
(3aR,6aS)-5-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine
CID 154806034
1-benzyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine
CID 113222196
N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-3-amine
CID 62871960
(3S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 28950125
N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxepan-4-amine
CID 65076508
3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 61276333
2,2-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine
CID 79864476
5-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexan-2-amine
CID 43103364
2-(2-methylbenzimidazol-1-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 62654333
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1,5-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine (CID 81302349) is 1,5-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1,5-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1,5-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine is Cc1nc2ccccc2n1CCNC1CC(C)N(C)C1.
What is the InChIKey of 1,5-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is RJZNNTZTAGASRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-12-10-14(11-19(12)3)17-8-9-20-13(2)18-15-6-4-5-7-16(15)20/h4-7,12,14,17H,8-11H2,1-3H3.
What are the key properties of 1,5-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine?
1,5-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 272.40 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 81302349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).