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N-(1H-imidazol-2-ylmethyl)-1-(3-methylbenzimidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine

C18H21N7 — CID 151271594

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(1H-imidazol-2-ylmethyl)-1-(3-methylbenzimidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCn1ccnc1CN(Cc1ccc2ncn(C)c2c1)Cc1ncc[nH]1
InChIInChI=1S/C18H21N7/c1-23-8-7-21-18(23)12-25(11-17-19-5-6-20-17)10-14-3-4-15-16(9-14)24(2)13-22-15/h3-9,13H,10-12H2,1-2H3,(H,19,20)
InChIKeyNWMJYSFKQUFWON-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.23
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-1-(3-methylbenzimidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine

N-(1H-imidazol-2-ylmethyl)-1-(3-methylbenzimidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine (PubChem CID 151271594) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-1-(3-methylbenzimidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-1-(3-methylbenzimidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
PubChem CID151271594
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC NameN-(1H-imidazol-2-ylmethyl)-1-(3-methylbenzimidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCn1ccnc1CN(Cc1ccc2ncn(C)c2c1)Cc1ncc[nH]1
InChIInChI=1S/C18H21N7/c1-23-8-7-21-18(23)12-25(11-17-19-5-6-20-17)10-14-3-4-15-16(9-14)24(2)13-22-15/h3-9,13H,10-12H2,1-2H3,(H,19,20)
InChIKeyNWMJYSFKQUFWON-UHFFFAOYSA-N
XLogP2.23
TPSA67.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-(3-methylbenzimidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-(3-methylbenzimidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine (CID 151271594) is N-(1H-imidazol-2-ylmethyl)-1-(3-methylbenzimidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-1-(3-methylbenzimidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-1-(3-methylbenzimidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine is Cn1ccnc1CN(Cc1ccc2ncn(C)c2c1)Cc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-1-(3-methylbenzimidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The InChIKey is NWMJYSFKQUFWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-23-8-7-21-18(23)12-25(11-17-19-5-6-20-17)10-14-3-4-15-16(9-14)24(2)13-22-15/h3-9,13H,10-12H2,1-2H3,(H,19,20).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-1-(3-methylbenzimidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
N-(1H-imidazol-2-ylmethyl)-1-(3-methylbenzimidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine has a molecular weight of 335.42 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-1-(3-methylbenzimidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 151271594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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