N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-1-phenylmethanamine

C16H17N3 — CID 3009971

IUPACN-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C16H17N3/c1-11-8-9-13-14(10-11)19-16(18-13)15(17-2)12-6-4-3-5-7-12/h3-10,15,17H,1-2H3,(H,18,19)
InChIKeyGIXHEQYXNVXJQD-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.18
Rot. Bonds3

About N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-1-phenylmethanamine

N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-1-phenylmethanamine (PubChem CID 3009971) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-1-phenylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-1-phenylmethanamine
PubChem CID3009971
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C16H17N3/c1-11-8-9-13-14(10-11)19-16(18-13)15(17-2)12-6-4-3-5-7-12/h3-10,15,17H,1-2H3,(H,18,19)
InChIKeyGIXHEQYXNVXJQD-UHFFFAOYSA-N
XLogP3.18
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43889998
2-chloro-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43890007
N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]naphthalene-2-sulfonamide
CID 43890046
(1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 1090298
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 653921
6-methyl-N-(1-phenylethyl)-1H-benzimidazol-2-amine
CID 45017469
1-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpropan-1-amine
CID 114917404
methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 143560224
N-benzyl-N-ethyl-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 82336142
1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid
CID 23453418
2-[(1S)-1-(2,6-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole
CID 27408381
3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 43379497

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-1-phenylmethanamine?
The IUPAC name of N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-1-phenylmethanamine (CID 3009971) is N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-1-phenylmethanamine.
What is the SMILES notation for N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-1-phenylmethanamine?
The canonical SMILES for N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-1-phenylmethanamine is CNC(c1ccccc1)c1nc2ccc(C)cc2[nH]1.
What is the InChIKey of N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-1-phenylmethanamine?
The InChIKey is GIXHEQYXNVXJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11-8-9-13-14(10-11)19-16(18-13)15(17-2)12-6-4-3-5-7-12/h3-10,15,17H,1-2H3,(H,18,19).
What are the key properties of N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-1-phenylmethanamine?
N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-1-phenylmethanamine has a molecular weight of 251.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-1-phenylmethanamine is sourced from PubChem (CID 3009971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).