N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine

C19H22N4O — CID 4166648

IUPACN-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine
SMILESCC(C)CCOc1ccc(C=NNc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H22N4O/c1-14(2)11-12-24-16-9-7-15(8-10-16)13-20-23-19-21-17-5-3-4-6-18(17)22-19/h3-10,13-14H,11-12H2,1-2H3,(H2,21,22,23)
InChIKeyQIPORCHSDKNGSK-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.43
Rot. Bonds7

About N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine

N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine (PubChem CID 4166648) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine
PubChem CID4166648
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine
SMILESCC(C)CCOc1ccc(C=NNc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H22N4O/c1-14(2)11-12-24-16-9-7-15(8-10-16)13-20-23-19-21-17-5-3-4-6-18(17)22-19/h3-10,13-14H,11-12H2,1-2H3,(H2,21,22,23)
InChIKeyQIPORCHSDKNGSK-UHFFFAOYSA-N
XLogP4.43
TPSA62.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 14088787
2-(1H-benzimidazol-2-yl)-3-[4-(3-methylbutoxy)phenyl]prop-2-enenitrile
CID 3480917
6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 110511992
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110511818
4-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-2-ethoxyphenol
CID 136806309
N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 110514872
N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577275
N-[(3-phenoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 4151139
N-[(Z)-quinolin-6-ylmethylideneamino]-1H-benzimidazol-2-amine
CID 6036074
2-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625936
N-[(4-butoxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide
CID 5230333
4-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-2-bromo-6-ethoxyphenol
CID 135590048

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine?
The IUPAC name of N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine (CID 4166648) is N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine is CC(C)CCOc1ccc(C=NNc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine?
The InChIKey is QIPORCHSDKNGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14(2)11-12-24-16-9-7-15(8-10-16)13-20-23-19-21-17-5-3-4-6-18(17)22-19/h3-10,13-14H,11-12H2,1-2H3,(H2,21,22,23).
What are the key properties of N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine?
N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine has a molecular weight of 322.41 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine is sourced from PubChem (CID 4166648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).