N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine

C12H17N3 — CID 115259483

IUPACN-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
SMILESCCN(C)Cc1ccc2c(c1)ncn2C
InChIInChI=1S/C12H17N3/c1-4-14(2)8-10-5-6-12-11(7-10)13-9-15(12)3/h5-7,9H,4,8H2,1-3H3
InChIKeyKYWUIEVDMSAEOW-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.03
Rot. Bonds3

About N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine

N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine (PubChem CID 115259483) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
PubChem CID115259483
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
SMILESCCN(C)Cc1ccc2c(c1)ncn2C
InChIInChI=1S/C12H17N3/c1-4-14(2)8-10-5-6-12-11(7-10)13-9-15(12)3/h5-7,9H,4,8H2,1-3H3
InChIKeyKYWUIEVDMSAEOW-UHFFFAOYSA-N
XLogP2.03
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
CID 115257973
2-chloro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
CID 115214975
2-[methyl-[(1-methylbenzimidazol-5-yl)methyl]amino]acetic acid
CID 115218062
(1-methylbenzimidazol-5-yl)methanethiol
CID 83529810
N-(bromomethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine
CID 115262441
3-amino-1-methyl-1-[(1-methylbenzimidazol-5-yl)methyl]urea
CID 115192819
N-(methoxymethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine
CID 115259070
methane;(1-methylbenzimidazol-5-yl)methanamine
CID 159204423
2-hydroxy-N,2-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]propanamide
CID 115178873
2-[methyl-[(1-methylbenzimidazol-5-yl)methyl]amino]propanoic acid
CID 117041964
2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151
5-(2-chloroethyl)-1-methylbenzimidazole
CID 82255547

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine?
The IUPAC name of N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine (CID 115259483) is N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine is CCN(C)Cc1ccc2c(c1)ncn2C.
What is the InChIKey of N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine?
The InChIKey is KYWUIEVDMSAEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-4-14(2)8-10-5-6-12-11(7-10)13-9-15(12)3/h5-7,9H,4,8H2,1-3H3.
What are the key properties of N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine?
N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine has a molecular weight of 203.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 115259483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).