3-chloro-2-N-(2-methylpropyl)-5-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazine-2,6-diamine

C19H25ClN6 — CID 10150387

IUPAC3-chloro-2-N-(2-methylpropyl)-5-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazine-2,6-diamine
SMILESCC(C)CNc1nc(N)c(-c2nc3ccccc3n2CC(C)C)nc1Cl
InChIInChI=1S/C19H25ClN6/c1-11(2)9-22-18-16(20)24-15(17(21)25-18)19-23-13-7-5-6-8-14(13)26(19)10-12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H3,21,22,25)
InChIKeyTUBRXYDYBQOBOB-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.45
Rot. Bonds6

About 3-chloro-2-N-(2-methylpropyl)-5-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazine-2,6-diamine

3-chloro-2-N-(2-methylpropyl)-5-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazine-2,6-diamine (PubChem CID 10150387) has the molecular formula C19H25ClN6 and a molecular weight of 372.90 g/mol. Its IUPAC name is 3-chloro-2-N-(2-methylpropyl)-5-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazine-2,6-diamine.

Molecular Properties

Compound Name3-chloro-2-N-(2-methylpropyl)-5-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazine-2,6-diamine
PubChem CID10150387
Molecular FormulaC19H25ClN6
Molecular Weight372.90 g/mol
Exact Mass372.18
IUPAC Name3-chloro-2-N-(2-methylpropyl)-5-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazine-2,6-diamine
SMILESCC(C)CNc1nc(N)c(-c2nc3ccccc3n2CC(C)C)nc1Cl
InChIInChI=1S/C19H25ClN6/c1-11(2)9-22-18-16(20)24-15(17(21)25-18)19-23-13-7-5-6-8-14(13)26(19)10-12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H3,21,22,25)
InChIKeyTUBRXYDYBQOBOB-UHFFFAOYSA-N
XLogP4.45
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dichloro-3-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazin-2-amine
CID 10193448
5-chloro-3-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazin-2-amine
CID 10236520
4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770158
2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole
CID 17001122
[1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride
CID 163331235
(1R)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine;hydrochloride
CID 133143576
2-chloro-4-N-(2-methylpropyl)quinoline-3,4-diamine
CID 11747039
1-(3-methylbutyl)-2-(4-methylphenyl)benzimidazole
CID 18878798
6-chloro-1-(2-methylpropyl)-2-phenylbenzimidazole
CID 46310887
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
CID 751204
2-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzotriazole
CID 5272036
2-(2-chlorophenyl)-1-(2-methylbutyl)benzimidazole
CID 18878777

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-(2-methylpropyl)-5-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazine-2,6-diamine?
The IUPAC name of 3-chloro-2-N-(2-methylpropyl)-5-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazine-2,6-diamine (CID 10150387) is 3-chloro-2-N-(2-methylpropyl)-5-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazine-2,6-diamine.
What is the SMILES notation for 3-chloro-2-N-(2-methylpropyl)-5-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazine-2,6-diamine?
The canonical SMILES for 3-chloro-2-N-(2-methylpropyl)-5-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazine-2,6-diamine is CC(C)CNc1nc(N)c(-c2nc3ccccc3n2CC(C)C)nc1Cl.
What is the InChIKey of 3-chloro-2-N-(2-methylpropyl)-5-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazine-2,6-diamine?
The InChIKey is TUBRXYDYBQOBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN6/c1-11(2)9-22-18-16(20)24-15(17(21)25-18)19-23-13-7-5-6-8-14(13)26(19)10-12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H3,21,22,25).
What are the key properties of 3-chloro-2-N-(2-methylpropyl)-5-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazine-2,6-diamine?
3-chloro-2-N-(2-methylpropyl)-5-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazine-2,6-diamine has a molecular weight of 372.90 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-(2-methylpropyl)-5-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazine-2,6-diamine is sourced from PubChem (CID 10150387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).