4-(5,6-dihydro-1H-benzimidazol-2-yl)-2-N-prop-1-en-2-ylcyclohexa-2,6-diene-1,2-diamine

C16H20N4 — CID 89400245

IUPAC4-(5,6-dihydro-1H-benzimidazol-2-yl)-2-N-prop-1-en-2-ylcyclohexa-2,6-diene-1,2-diamine
SMILESC=C(C)NC1=CC(c2nc3c([nH]2)=CCCC=3)CC=C1N
InChIInChI=1S/C16H20N4/c1-10(2)18-15-9-11(7-8-12(15)17)16-19-13-5-3-4-6-14(13)20-16/h5-6,8-9,11,18H,1,3-4,7,17H2,2H3,(H,19,20)
InChIKeyMCRHQHWTHARYMD-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.10
Rot. Bonds3

About 4-(5,6-dihydro-1H-benzimidazol-2-yl)-2-N-prop-1-en-2-ylcyclohexa-2,6-diene-1,2-diamine

4-(5,6-dihydro-1H-benzimidazol-2-yl)-2-N-prop-1-en-2-ylcyclohexa-2,6-diene-1,2-diamine (PubChem CID 89400245) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(5,6-dihydro-1H-benzimidazol-2-yl)-2-N-prop-1-en-2-ylcyclohexa-2,6-diene-1,2-diamine.

Molecular Properties

Compound Name4-(5,6-dihydro-1H-benzimidazol-2-yl)-2-N-prop-1-en-2-ylcyclohexa-2,6-diene-1,2-diamine
PubChem CID89400245
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name4-(5,6-dihydro-1H-benzimidazol-2-yl)-2-N-prop-1-en-2-ylcyclohexa-2,6-diene-1,2-diamine
SMILESC=C(C)NC1=CC(c2nc3c([nH]2)=CCCC=3)CC=C1N
InChIInChI=1S/C16H20N4/c1-10(2)18-15-9-11(7-8-12(15)17)16-19-13-5-3-4-6-14(13)20-16/h5-6,8-9,11,18H,1,3-4,7,17H2,2H3,(H,19,20)
InChIKeyMCRHQHWTHARYMD-UHFFFAOYSA-N
XLogP1.10
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dihydro-1H-benzimidazol-2-yl)-2-N-prop-1-en-2-ylcyclohexa-2,6-diene-1,2-diamine?
The IUPAC name of 4-(5,6-dihydro-1H-benzimidazol-2-yl)-2-N-prop-1-en-2-ylcyclohexa-2,6-diene-1,2-diamine (CID 89400245) is 4-(5,6-dihydro-1H-benzimidazol-2-yl)-2-N-prop-1-en-2-ylcyclohexa-2,6-diene-1,2-diamine.
What is the SMILES notation for 4-(5,6-dihydro-1H-benzimidazol-2-yl)-2-N-prop-1-en-2-ylcyclohexa-2,6-diene-1,2-diamine?
The canonical SMILES for 4-(5,6-dihydro-1H-benzimidazol-2-yl)-2-N-prop-1-en-2-ylcyclohexa-2,6-diene-1,2-diamine is C=C(C)NC1=CC(c2nc3c([nH]2)=CCCC=3)CC=C1N.
What is the InChIKey of 4-(5,6-dihydro-1H-benzimidazol-2-yl)-2-N-prop-1-en-2-ylcyclohexa-2,6-diene-1,2-diamine?
The InChIKey is MCRHQHWTHARYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-10(2)18-15-9-11(7-8-12(15)17)16-19-13-5-3-4-6-14(13)20-16/h5-6,8-9,11,18H,1,3-4,7,17H2,2H3,(H,19,20).
What are the key properties of 4-(5,6-dihydro-1H-benzimidazol-2-yl)-2-N-prop-1-en-2-ylcyclohexa-2,6-diene-1,2-diamine?
4-(5,6-dihydro-1H-benzimidazol-2-yl)-2-N-prop-1-en-2-ylcyclohexa-2,6-diene-1,2-diamine has a molecular weight of 268.36 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dihydro-1H-benzimidazol-2-yl)-2-N-prop-1-en-2-ylcyclohexa-2,6-diene-1,2-diamine is sourced from PubChem (CID 89400245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).