4-[1-(3-methylbenzimidazol-5-yl)imidazol-2-yl]pyridin-2-amine

C16H14N6 — CID 139598950

IUPAC4-[1-(3-methylbenzimidazol-5-yl)imidazol-2-yl]pyridin-2-amine
SMILESCn1cnc2ccc(-n3ccnc3-c3ccnc(N)c3)cc21
InChIInChI=1S/C16H14N6/c1-21-10-20-13-3-2-12(9-14(13)21)22-7-6-19-16(22)11-4-5-18-15(17)8-11/h2-10H,1H3,(H2,17,18)
InChIKeySELHLRSPWBWRCX-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.40
Rot. Bonds2

About 4-[1-(3-methylbenzimidazol-5-yl)imidazol-2-yl]pyridin-2-amine

4-[1-(3-methylbenzimidazol-5-yl)imidazol-2-yl]pyridin-2-amine (PubChem CID 139598950) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-[1-(3-methylbenzimidazol-5-yl)imidazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[1-(3-methylbenzimidazol-5-yl)imidazol-2-yl]pyridin-2-amine
PubChem CID139598950
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name4-[1-(3-methylbenzimidazol-5-yl)imidazol-2-yl]pyridin-2-amine
SMILESCn1cnc2ccc(-n3ccnc3-c3ccnc(N)c3)cc21
InChIInChI=1S/C16H14N6/c1-21-10-20-13-3-2-12(9-14(13)21)22-7-6-19-16(22)11-4-5-18-15(17)8-11/h2-10H,1H3,(H2,17,18)
InChIKeySELHLRSPWBWRCX-UHFFFAOYSA-N
XLogP2.40
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methylbenzimidazol-5-yl)imidazol-2-yl]pyridin-2-amine?
The IUPAC name of 4-[1-(3-methylbenzimidazol-5-yl)imidazol-2-yl]pyridin-2-amine (CID 139598950) is 4-[1-(3-methylbenzimidazol-5-yl)imidazol-2-yl]pyridin-2-amine.
What is the SMILES notation for 4-[1-(3-methylbenzimidazol-5-yl)imidazol-2-yl]pyridin-2-amine?
The canonical SMILES for 4-[1-(3-methylbenzimidazol-5-yl)imidazol-2-yl]pyridin-2-amine is Cn1cnc2ccc(-n3ccnc3-c3ccnc(N)c3)cc21.
What is the InChIKey of 4-[1-(3-methylbenzimidazol-5-yl)imidazol-2-yl]pyridin-2-amine?
The InChIKey is SELHLRSPWBWRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6/c1-21-10-20-13-3-2-12(9-14(13)21)22-7-6-19-16(22)11-4-5-18-15(17)8-11/h2-10H,1H3,(H2,17,18).
What are the key properties of 4-[1-(3-methylbenzimidazol-5-yl)imidazol-2-yl]pyridin-2-amine?
4-[1-(3-methylbenzimidazol-5-yl)imidazol-2-yl]pyridin-2-amine has a molecular weight of 290.33 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methylbenzimidazol-5-yl)imidazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 139598950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).