2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-5-amine

C14H20N4 — CID 114137819

IUPAC2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1CC1CCCN1C
InChIInChI=1S/C14H20N4/c1-10-16-13-8-11(15)5-6-14(13)18(10)9-12-4-3-7-17(12)2/h5-6,8,12H,3-4,7,9,15H2,1-2H3
InChIKeyIGPSIVXDNSCFJN-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.02
Rot. Bonds2

About 2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-5-amine

2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-5-amine (PubChem CID 114137819) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-5-amine
PubChem CID114137819
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1CC1CCCN1C
InChIInChI=1S/C14H20N4/c1-10-16-13-8-11(15)5-6-14(13)18(10)9-12-4-3-7-17(12)2/h5-6,8,12H,3-4,7,9,15H2,1-2H3
InChIKeyIGPSIVXDNSCFJN-UHFFFAOYSA-N
XLogP2.02
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbenzimidazol-5-amine
CID 63898810
1-(2-cyclopentyloxyethyl)-2-methylbenzimidazol-5-amine
CID 63828297
5-iodo-1-[(1-methylpiperidin-2-yl)methyl]benzimidazol-2-amine
CID 66081003
2-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-5-amine
CID 62506736
2-(chloromethyl)-5-methoxy-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole
CID 106020520
2-[(4-ethoxyphenyl)methyl]-1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazol-5-amine
CID 59799759
2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
CID 63830322
4-[1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 10308401
5-amino-2-[(1-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione
CID 106019319
1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43140453
2-(1-chloroethyl)-5-iodo-1-[(1-methylpiperidin-2-yl)methyl]benzimidazole
CID 66081650
5-amino-1-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-one
CID 165482076

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-5-amine?
The IUPAC name of 2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-5-amine (CID 114137819) is 2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-5-amine?
The canonical SMILES for 2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-5-amine is Cc1nc2cc(N)ccc2n1CC1CCCN1C.
What is the InChIKey of 2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-5-amine?
The InChIKey is IGPSIVXDNSCFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10-16-13-8-11(15)5-6-14(13)18(10)9-12-4-3-7-17(12)2/h5-6,8,12H,3-4,7,9,15H2,1-2H3.
What are the key properties of 2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-5-amine?
2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-5-amine has a molecular weight of 244.34 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 114137819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).