N-ethyl-3-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine

C15H17N5 — CID 79754406

IUPACN-ethyl-3-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine
SMILESCCNc1nccnc1Cc1nc2ccccc2n1C
InChIInChI=1S/C15H17N5/c1-3-16-15-12(17-8-9-18-15)10-14-19-11-6-4-5-7-13(11)20(14)2/h4-9H,3,10H2,1-2H3,(H,16,18)
InChIKeyKNVUCIGBYOGQFR-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.39
Rot. Bonds4

About N-ethyl-3-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine

N-ethyl-3-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine (PubChem CID 79754406) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-ethyl-3-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine
PubChem CID79754406
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-ethyl-3-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine
SMILESCCNc1nccnc1Cc1nc2ccccc2n1C
InChIInChI=1S/C15H17N5/c1-3-16-15-12(17-8-9-18-15)10-14-19-11-6-4-5-7-13(11)20(14)2/h4-9H,3,10H2,1-2H3,(H,16,18)
InChIKeyKNVUCIGBYOGQFR-UHFFFAOYSA-N
XLogP2.39
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine
CID 79754305
5-methyl-6-[(1-methylbenzimidazol-2-yl)methyl]pyrimidin-4-amine
CID 79753257
N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 78911712
2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 14452296
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
N-[[3-[(1-methylbenzimidazol-2-yl)methyl]furan-2-yl]methyl]ethanamine
CID 106887581
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 71983544
3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 79753807
N-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine
CID 105007583
N-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79750698
2-ethyl-N-methyl-6-[(1-methylbenzimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80939043

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine?
The IUPAC name of N-ethyl-3-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine (CID 79754406) is N-ethyl-3-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for N-ethyl-3-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine?
The canonical SMILES for N-ethyl-3-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine is CCNc1nccnc1Cc1nc2ccccc2n1C.
What is the InChIKey of N-ethyl-3-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine?
The InChIKey is KNVUCIGBYOGQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-3-16-15-12(17-8-9-18-15)10-14-19-11-6-4-5-7-13(11)20(14)2/h4-9H,3,10H2,1-2H3,(H,16,18).
What are the key properties of N-ethyl-3-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine?
N-ethyl-3-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine has a molecular weight of 267.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 79754406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).